3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide

C10H12N6O — CID 105068860

IUPAC3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCn1cnnc1CNC(=O)c1ccncc1N
InChIInChI=1S/C10H12N6O/c1-16-6-14-15-9(16)5-13-10(17)7-2-3-12-4-8(7)11/h2-4,6H,5,11H2,1H3,(H,13,17)
InChIKeyVQLQBXABYSZHCJ-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.28
Rot. Bonds3

About 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide

3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 105068860) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID105068860
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCn1cnnc1CNC(=O)c1ccncc1N
InChIInChI=1S/C10H12N6O/c1-16-6-14-15-9(16)5-13-10(17)7-2-3-12-4-8(7)11/h2-4,6H,5,11H2,1H3,(H,13,17)
InChIKeyVQLQBXABYSZHCJ-UHFFFAOYSA-N
XLogP-0.28
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81242971
3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 66484515
2-amino-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 63110019
2-amino-5-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 107074730
5-amino-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 61138847
3-amino-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 54904691
2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 61140363
3-amino-N-(2-methylpropyl)pyridine-4-carboxamide
CID 110848376
2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 61140554
3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 113269660
2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 106993375
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81242142

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide (CID 105068860) is 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide is Cn1cnnc1CNC(=O)c1ccncc1N.
What is the InChIKey of 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is VQLQBXABYSZHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-16-6-14-15-9(16)5-13-10(17)7-2-3-12-4-8(7)11/h2-4,6H,5,11H2,1H3,(H,13,17).
What are the key properties of 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 232.25 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105068860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).