| CAS Number | 1522530-72-8 |
| Catalog Number | AG00HXYA(AGN-PC-0WD7HL) |
| Chemical Name | 5-METHYL-5H-PYRROLO[2,3-B]PYRAZINE-7-CARBOXYLICACID |
| IUPAC Name | 5-methylpyrrolo[2,3-b]pyrazine-7-carboxylic acid |
| InChI | InChI=1S/C8H7N3O2/c1-11-4-5(8(12)13)6-7(11)10-3-2-9-6/h2-4H,1H3,(H,12,13) |
| InChI Key | LNTXTPZUGLUCLS-UHFFFAOYSA-N |
| MDL Number | MFCD27987613 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | O=C(C1=CN(C)C2=NC=CN=C21)O |
| Synonyms | 5-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid,
1522530-72-8,
5-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylicacid,
KS-000005TW,
MFCD27987613,
ZINC83272620,
AKOS022969251,
SB14629,
AS-52626,
CS-0050436,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.163g/mol |
| Monoisotopic Mass | 177.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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