5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

C7H6N4O — CID 141163087

IUPAC5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2ncn[nH]2)c[nH]1
InChIInChI=1S/C7H6N4O/c12-6-2-1-5(3-8-6)7-9-4-10-11-7/h1-4H,(H,8,12)(H,9,10,11)
InChIKeyAOOOLZACQMYUAT-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.16
Rot. Bonds1

About 5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (PubChem CID 141163087) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
PubChem CID141163087
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2ncn[nH]2)c[nH]1
InChIInChI=1S/C7H6N4O/c12-6-2-1-5(3-8-6)7-9-4-10-11-7/h1-4H,(H,8,12)(H,9,10,11)
InChIKeyAOOOLZACQMYUAT-UHFFFAOYSA-N
XLogP0.16
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 167779393
5-[3-(2,2-difluoroethylamino)-1H-1,2,4-triazol-5-yl]-1-methylpyridin-2-one
CID 167934453
5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 167938220
5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
CID 167986412
3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 135425120
3-(3-amino-1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 136210766
(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enamide
CID 137482064
(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide
CID 137482081
1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one
CID 141127086
ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide
CID 144709480
1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 54885291
6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 60983558

Frequently Asked Questions

What is the IUPAC name of 5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (CID 141163087) is 5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is O=c1ccc(-c2ncn[nH]2)c[nH]1.
What is the InChIKey of 5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The InChIKey is AOOOLZACQMYUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-6-2-1-5(3-8-6)7-9-4-10-11-7/h1-4H,(H,8,12)(H,9,10,11).
What are the key properties of 5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one has a molecular weight of 162.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 141163087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).