2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide

C10H12N6O — CID 113277765

IUPAC2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCc2ncn[nH]2)ccn1
InChIInChI=1S/C10H12N6O/c11-4-8-3-7(1-2-12-8)10(17)13-5-9-14-6-15-16-9/h1-3,6H,4-5,11H2,(H,13,17)(H,14,15,16)
InChIKeyMGWHBVKZYHYJPB-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.41
Rot. Bonds4

About 2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 113277765) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID113277765
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCc2ncn[nH]2)ccn1
InChIInChI=1S/C10H12N6O/c11-4-8-3-7(1-2-12-8)10(17)13-5-9-14-6-15-16-9/h1-3,6H,4-5,11H2,(H,13,17)(H,14,15,16)
InChIKeyMGWHBVKZYHYJPB-UHFFFAOYSA-N
XLogP-0.41
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 113277766
4-carbamothioyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64530382
3-iodo-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60983434
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384825
2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 112522093
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
3-bromo-4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113244827
2,6-dichloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 61041672
6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 64525579
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60983185
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide (CID 113277765) is 2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide is NCc1cc(C(=O)NCc2ncn[nH]2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is MGWHBVKZYHYJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c11-4-8-3-7(1-2-12-8)10(17)13-5-9-14-6-15-16-9/h1-3,6H,4-5,11H2,(H,13,17)(H,14,15,16).
What are the key properties of 2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 232.25 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 113277765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).