1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one

C15H20N4OS — CID 82524144

IUPAC1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one
SMILESCC(C)c1ccc(-c2nc(=S)[nH][nH]2)c(=O)n1C1CCCC1
InChIInChI=1S/C15H20N4OS/c1-9(2)12-8-7-11(13-16-15(21)18-17-13)14(20)19(12)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H2,16,17,18,21)
InChIKeyMYYOTEFUXMBYFT-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.53
Rot. Bonds3

About 1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one

1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one (PubChem CID 82524144) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one
PubChem CID82524144
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one
SMILESCC(C)c1ccc(-c2nc(=S)[nH][nH]2)c(=O)n1C1CCCC1
InChIInChI=1S/C15H20N4OS/c1-9(2)12-8-7-11(13-16-15(21)18-17-13)14(20)19(12)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H2,16,17,18,21)
InChIKeyMYYOTEFUXMBYFT-UHFFFAOYSA-N
XLogP3.53
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one?
The IUPAC name of 1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one (CID 82524144) is 1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one is CC(C)c1ccc(-c2nc(=S)[nH][nH]2)c(=O)n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one?
The InChIKey is MYYOTEFUXMBYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)12-8-7-11(13-16-15(21)18-17-13)14(20)19(12)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H2,16,17,18,21).
What are the key properties of 1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one?
1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one has a molecular weight of 304.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-propan-2-yl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one is sourced from PubChem (CID 82524144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).