| CAS Number | 865307-73-9 |
| Catalog Number | AG01EXZC(AGN-PC-0V6C0W) |
| Chemical Name | 1-Methyl-4-(1-methyl-1H-imidazole-2-carboxamido)-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C11H12N4O3/c1-14-4-3-12-9(14)10(16)13-7-5-8(11(17)18)15(2)6-7/h3-6H,1-2H3,(H,13,16)(H,17,18) |
| InChI Key | UUENVTHPJIDBSK-UHFFFAOYSA-N |
| MDL Number | MFCD04973794 |
| Molecular Formula | C11H12N4O3 |
| Molecular Weight | 248.2380 |
| SMILES | O=C(C1=CC(NC(C2=NC=CN2C)=O)=CN1C)O |
| Synonyms | 865307-73-9,
1-Methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)-amino]-1H-pyrrole-2-carboxylic acid,
1-Methyl-4-(1-methyl-1H-imidazole-2-carboxamido)-1H-pyrrole-2-carboxylic acid,
1-methyl-4-[(1-methyl-1h-imidazole-2-carbonyl)amino]-1h-pyrrole-2-carboxylic acid,
AC1MC1IC,
SCHEMBL2072460,
CTK7G0549,
ZINC2541362,
1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carboxylic Acid,
FS-6159,
1-Methyl-4-[[(1-methyl-1H-imidazole-2-yl)carbonyl]amino]-1H-pyrrole-2-carboxylic acid,
1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)-amino]-1H-pyrrole-2-carboxylic acid, AldrichCPR,
Not Available,
CID2759921,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.242g/mol |
| Monoisotopic Mass | 248.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number