2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide

C9H9N5O2 — CID 60982797

IUPAC2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1ccc[nH]c1=O
InChIInChI=1S/C9H9N5O2/c15-8-6(2-1-3-10-8)9(16)11-4-7-12-5-13-14-7/h1-3,5H,4H2,(H,10,15)(H,11,16)(H,12,13,14)
InChIKeyIAYDEIPEPXRKHU-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.58
Rot. Bonds3

About 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 60982797) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID60982797
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1ccc[nH]c1=O
InChIInChI=1S/C9H9N5O2/c15-8-6(2-1-3-10-8)9(16)11-4-7-12-5-13-14-7/h1-3,5H,4H2,(H,10,15)(H,11,16)(H,12,13,14)
InChIKeyIAYDEIPEPXRKHU-UHFFFAOYSA-N
XLogP-0.58
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-({1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-3-yl}methyl)-2-hydroxynicotinamide
CID 56703242
2-hydroxy-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylnicotinamide
CID 70728441
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60983309
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64512070
2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64529410
2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 103741590
1,6-dimethyl-2-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,2-dihydropyridine-3-carboxamide
CID 119062845
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166321498
9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 122547612
3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
CID 143485370
N-(1H-1,2,4-triazol-5-ylmethyl)-1H-azepine-2-carboxamide
CID 160461408
8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45239403

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide (CID 60982797) is 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide is O=C(NCc1ncn[nH]1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is IAYDEIPEPXRKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c15-8-6(2-1-3-10-8)9(16)11-4-7-12-5-13-14-7/h1-3,5H,4H2,(H,10,15)(H,11,16)(H,12,13,14).
What are the key properties of 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 219.20 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60982797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).