| CAS Number | 1018170-67-6 |
| Catalog Number | AG00JFT1(AGN-PC-0WBCH4) |
| Chemical Name | 1-(Pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole |
| IUPAC Name | 1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole |
| InChI | InChI=1S/C7H12N4/c1-2-7(9-3-1)4-11-6-8-5-10-11/h5-7,9H,1-4H2 |
| InChI Key | AGIXGQFDUZRXCT-UHFFFAOYSA-N |
| MDL Number | MFCD10001573 |
| Molecular Formula | C7H12N4 |
| Molecular Weight | 152.1970 |
| SMILES | C(N1N=CN=C1)C1NCCC1 |
| Synonyms | 1-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole,
1018170-67-6,
1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole,
MFCD10001573,
SBB026480,
STK353409,
AKOS005168873,
MCULE-8807715435,
NE52426,
ST45135003,
EN300-71153,
1-[(pyrrolidin-2-yl)methyl]-1H-1,2,4-triazole,
Z1266823364,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.201g/mol |
| Monoisotopic Mass | 152.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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