3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one

C10H10N4OS — CID 136812502

IUPAC3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1-c1n[nH]c(=S)n1C1CC1
InChIInChI=1S/C10H10N4OS/c15-8-3-4-11-5-7(8)9-12-13-10(16)14(9)6-1-2-6/h3-6H,1-2H2,(H,11,15)(H,13,16)
InChIKeyMOGVFZAMHCOVLZ-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.63
Rot. Bonds2

About 3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one

3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one (PubChem CID 136812502) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one
PubChem CID136812502
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1-c1n[nH]c(=S)n1C1CC1
InChIInChI=1S/C10H10N4OS/c15-8-3-4-11-5-7(8)9-12-13-10(16)14(9)6-1-2-6/h3-6H,1-2H2,(H,11,15)(H,13,16)
InChIKeyMOGVFZAMHCOVLZ-UHFFFAOYSA-N
XLogP1.63
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-methylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridin-4-one
CID 136812505
3-(3-bromo-2-methylphenyl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
CID 113300187
4-cyclopropyl-3-phenyl-1H-1,2,4-triazole-5-thione
CID 22830448
4-cyclopropyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
CID 4962549
4-cyclopropyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
CID 4774941
3-(3-bromo-2-chlorophenyl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
CID 113403034
4-cyclopropyl-3-(2-methyl-5-nitrophenyl)-1H-1,2,4-triazole-5-thione
CID 115391613
4-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 115390407
4-cyclopropyl-3-(2-methylquinolin-4-yl)-1H-1,2,4-triazole-5-thione
CID 115390476
4-cyclopropyl-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione
CID 17178158
4-cyclopropyl-3-(1-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
CID 79016011
4-cyclopentyl-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 18282131

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one?
The IUPAC name of 3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one (CID 136812502) is 3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one?
The canonical SMILES for 3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one is O=c1cc[nH]cc1-c1n[nH]c(=S)n1C1CC1.
What is the InChIKey of 3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one?
The InChIKey is MOGVFZAMHCOVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c15-8-3-4-11-5-7(8)9-12-13-10(16)14(9)6-1-2-6/h3-6H,1-2H2,(H,11,15)(H,13,16).
What are the key properties of 3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one?
3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-pyridin-4-one is sourced from PubChem (CID 136812502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).