5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid

C11H12N6O3 — CID 115460248

IUPAC5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid
SMILESNCc1cn(CC(=O)Nc2ccc(C(=O)O)nc2)nn1
InChIInChI=1S/C11H12N6O3/c12-3-8-5-17(16-15-8)6-10(18)14-7-1-2-9(11(19)20)13-4-7/h1-2,4-5H,3,6,12H2,(H,14,18)(H,19,20)
InChIKeyQVMKHIKMJUWSGJ-UHFFFAOYSA-N
MW276.26 g/mol
LogP-0.53
Rot. Bonds5

About 5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid

5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 115460248) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid
PubChem CID115460248
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid
SMILESNCc1cn(CC(=O)Nc2ccc(C(=O)O)nc2)nn1
InChIInChI=1S/C11H12N6O3/c12-3-8-5-17(16-15-8)6-10(18)14-7-1-2-9(11(19)20)13-4-7/h1-2,4-5H,3,6,12H2,(H,14,18)(H,19,20)
InChIKeyQVMKHIKMJUWSGJ-UHFFFAOYSA-N
XLogP-0.53
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 113314224
2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
CID 62054484
2-[4-(aminomethyl)triazol-1-yl]-N-(3,4-dicyanophenyl)acetamide
CID 107790636
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46868049
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 62053635
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-bromobenzoic acid
CID 115459835
2-[[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 115460069
2-[4-(aminomethyl)triazol-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 115459155
1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid
CID 66288893
N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide
CID 62056005
2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-2,6-dimethylphenyl)acetamide
CID 115458933
1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289113

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid (CID 115460248) is 5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid is NCc1cn(CC(=O)Nc2ccc(C(=O)O)nc2)nn1.
What is the InChIKey of 5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is QVMKHIKMJUWSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c12-3-8-5-17(16-15-8)6-10(18)14-7-1-2-9(11(19)20)13-4-7/h1-2,4-5H,3,6,12H2,(H,14,18)(H,19,20).
What are the key properties of 5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid?
5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 276.26 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115460248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).