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

C9H9N5O2 — CID 60983558

IUPAC6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H9N5O2/c15-8-2-1-6(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)
InChIKeyKTQHCBFSENPRHO-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.58
Rot. Bonds3

About 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide

6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 60983558) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID60983558
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H9N5O2/c15-8-2-1-6(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)
InChIKeyKTQHCBFSENPRHO-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

5-bromo-1-methyl-2-oxo-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 164639552
6-methyl-2-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,2-dihydropyridine-4-carboxamide
CID 124206420
1-methyl-6-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,6-dihydropyridine-3-carboxamide
CID 124214118
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166321498
5-(1H-1,2,4-triazole-5-carbonyl)-1,5,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),9,11,13-tetraen-2-one
CID 91632425
N-[(2Z,4E)-4-methylhepta-2,4-dienyl]-1H-1,2,4-triazole-5-carboxamide
CID 88385897
1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one
CID 141127086
5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 141163087
3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
CID 143485370
N-(2-cyclohexa-1,5-dien-1-ylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 153537335
8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45239403
6-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-pyridine-3-carboxamide
CID 51107570

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide (CID 60983558) is 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide is O=C(NCc1ncn[nH]1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KTQHCBFSENPRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c15-8-2-1-6(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 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
6-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 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60983558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).