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

C10H12N6O — CID 81242971

IUPAC4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCn1cnnc1CNC(=O)c1cnccc1N
InChIInChI=1S/C10H12N6O/c1-16-6-14-15-9(16)5-13-10(17)7-4-12-3-2-8(7)11/h2-4,6H,5H2,1H3,(H2,11,12)(H,13,17)
InChIKeyXHSYXAOXWDTZEH-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.28
Rot. Bonds3

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

4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 81242971) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID81242971
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCn1cnnc1CNC(=O)c1cnccc1N
InChIInChI=1S/C10H12N6O/c1-16-6-14-15-9(16)5-13-10(17)7-4-12-3-2-8(7)11/h2-4,6H,5H2,1H3,(H2,11,12)(H,13,17)
InChIKeyXHSYXAOXWDTZEH-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (CID 81242971) is 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is Cn1cnnc1CNC(=O)c1cnccc1N.
What is the InChIKey of 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is XHSYXAOXWDTZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-16-6-14-15-9(16)5-13-10(17)7-4-12-3-2-8(7)11/h2-4,6H,5H2,1H3,(H2,11,12)(H,13,17).
What are the key properties of 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-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 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81242971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).