1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C14H17N5OS — CID 82521958

IUPAC1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCN1CCc2c(cc(-c3nc(=S)[nH][nH]3)c(=O)n2C2CC2)C1
InChIInChI=1S/C14H17N5OS/c1-18-5-4-11-8(7-18)6-10(12-15-14(21)17-16-12)13(20)19(11)9-2-3-9/h6,9H,2-5,7H2,1H3,(H2,15,16,17,21)
InChIKeyHMLIHHYUEVIKSA-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.62
Rot. Bonds2

About 1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521958) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521958
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCN1CCc2c(cc(-c3nc(=S)[nH][nH]3)c(=O)n2C2CC2)C1
InChIInChI=1S/C14H17N5OS/c1-18-5-4-11-8(7-18)6-10(12-15-14(21)17-16-12)13(20)19(11)9-2-3-9/h6,9H,2-5,7H2,1H3,(H2,15,16,17,21)
InChIKeyHMLIHHYUEVIKSA-UHFFFAOYSA-N
XLogP1.62
TPSA69.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521958) is 1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CN1CCc2c(cc(-c3nc(=S)[nH][nH]3)c(=O)n2C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is HMLIHHYUEVIKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-18-5-4-11-8(7-18)6-10(12-15-14(21)17-16-12)13(20)19(11)9-2-3-9/h6,9H,2-5,7H2,1H3,(H2,15,16,17,21).
What are the key properties of 1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 303.39 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).