6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one

C15H18N4O2S — CID 165342247

IUPAC6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCSc1nnc(C2CCCCC2)c(=O)n1N=Cc1ccco1
InChIInChI=1S/C15H18N4O2S/c1-22-15-18-17-13(11-6-3-2-4-7-11)14(20)19(15)16-10-12-8-5-9-21-12/h5,8-11H,2-4,6-7H2,1H3
InChIKeyYFQAKOXUWMNJRV-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.88
Rot. Bonds4

About 6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one

6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one (PubChem CID 165342247) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one
PubChem CID165342247
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCSc1nnc(C2CCCCC2)c(=O)n1N=Cc1ccco1
InChIInChI=1S/C15H18N4O2S/c1-22-15-18-17-13(11-6-3-2-4-7-11)14(20)19(15)16-10-12-8-5-9-21-12/h5,8-11H,2-4,6-7H2,1H3
InChIKeyYFQAKOXUWMNJRV-UHFFFAOYSA-N
XLogP2.88
TPSA73.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-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-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one?
The IUPAC name of 6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one (CID 165342247) is 6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one.
What is the SMILES notation for 6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one?
The canonical SMILES for 6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one is CSc1nnc(C2CCCCC2)c(=O)n1N=Cc1ccco1.
What is the InChIKey of 6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one?
The InChIKey is YFQAKOXUWMNJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-22-15-18-17-13(11-6-3-2-4-7-11)14(20)19(15)16-10-12-8-5-9-21-12/h5,8-11H,2-4,6-7H2,1H3.
What are the key properties of 6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one?
6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one has a molecular weight of 318.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-(furan-2-ylmethylideneamino)-3-methylsulfanyl-1,2,4-triazin-5-one is sourced from PubChem (CID 165342247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).