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

C11H13N5OS — CID 82522127

IUPAC6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCN1CCc2[nH]c(=O)c(-c3nc(=S)[nH][nH]3)cc2C1
InChIInChI=1S/C11H13N5OS/c1-16-3-2-8-6(5-16)4-7(10(17)12-8)9-13-11(18)15-14-9/h4H,2-3,5H2,1H3,(H,12,17)(H2,13,14,15,18)
InChIKeyHTNRXXPRROSMFA-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.81
Rot. Bonds1

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

6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 82522127) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID82522127
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCN1CCc2[nH]c(=O)c(-c3nc(=S)[nH][nH]3)cc2C1
InChIInChI=1S/C11H13N5OS/c1-16-3-2-8-6(5-16)4-7(10(17)12-8)9-13-11(18)15-14-9/h4H,2-3,5H2,1H3,(H,12,17)(H2,13,14,15,18)
InChIKeyHTNRXXPRROSMFA-UHFFFAOYSA-N
XLogP0.81
TPSA80.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-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 6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 82522127) is 6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is CN1CCc2[nH]c(=O)c(-c3nc(=S)[nH][nH]3)cc2C1.
What is the InChIKey of 6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is HTNRXXPRROSMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-16-3-2-8-6(5-16)4-7(10(17)12-8)9-13-11(18)15-14-9/h4H,2-3,5H2,1H3,(H,12,17)(H2,13,14,15,18).
What are the key properties of 6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 263.33 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 82522127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).