3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one

C12H9N5O2S — CID 142480172

IUPAC3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(Sc2n[nH]c(-c3ccncc3)n2)cc1O
InChIInChI=1S/C12H9N5O2S/c18-9-5-8(6-14-11(9)19)20-12-15-10(16-17-12)7-1-3-13-4-2-7/h1-6,18H,(H,14,19)(H,15,16,17)
InChIKeyNIMRRXZDDNGULN-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.41
Rot. Bonds3

About 3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one

3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one (PubChem CID 142480172) has the molecular formula C12H9N5O2S and a molecular weight of 287.30 g/mol. Its IUPAC name is 3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one
PubChem CID142480172
Molecular FormulaC12H9N5O2S
Molecular Weight287.30 g/mol
Exact Mass287.05
IUPAC Name3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(Sc2n[nH]c(-c3ccncc3)n2)cc1O
InChIInChI=1S/C12H9N5O2S/c18-9-5-8(6-14-11(9)19)20-12-15-10(16-17-12)7-1-3-13-4-2-7/h1-6,18H,(H,14,19)(H,15,16,17)
InChIKeyNIMRRXZDDNGULN-UHFFFAOYSA-N
XLogP1.41
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-hydroxy-5-pyridin-4-yl-1H-pyridin-2-one
CID 20517045
2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
CID 9120056
2-[4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetic acid
CID 6539727
4-[3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]pyridine
CID 25369450
N-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 936817
N,N-bis(prop-2-enyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4825435
(3R,4S)-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-3-ol
CID 90059753
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 7722897
N-(2,5-dichlorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7723650
2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4843397
2-(3-cyclohexylpropyl)-2-cyclopentyl-4-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-3H-pyran-6-one
CID 58762723
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4828059

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one?
The IUPAC name of 3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one (CID 142480172) is 3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one?
The canonical SMILES for 3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one is O=c1[nH]cc(Sc2n[nH]c(-c3ccncc3)n2)cc1O.
What is the InChIKey of 3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one?
The InChIKey is NIMRRXZDDNGULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2S/c18-9-5-8(6-14-11(9)19)20-12-15-10(16-17-12)7-1-3-13-4-2-7/h1-6,18H,(H,14,19)(H,15,16,17).
What are the key properties of 3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one?
3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one has a molecular weight of 287.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyridin-2-one is sourced from PubChem (CID 142480172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).