2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline

C20H19N5OS — CID 2608043

IUPAC2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline
SMILESC=CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1ccoc1C
InChIInChI=1S/C20H19N5OS/c1-4-10-25-19(15-9-11-26-14(15)3)23-24-20(25)27-12-18-13(2)21-16-7-5-6-8-17(16)22-18/h4-9,11H,1,10,12H2,2-3H3
InChIKeyUHZCWAQQWNMTCE-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.58
Rot. Bonds6

About 2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline

2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline (PubChem CID 2608043) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline
PubChem CID2608043
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline
SMILESC=CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1ccoc1C
InChIInChI=1S/C20H19N5OS/c1-4-10-25-19(15-9-11-26-14(15)3)23-24-20(25)27-12-18-13(2)21-16-7-5-6-8-17(16)22-18/h4-9,11H,1,10,12H2,2-3H3
InChIKeyUHZCWAQQWNMTCE-UHFFFAOYSA-N
XLogP4.58
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline 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 2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline?
The IUPAC name of 2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline (CID 2608043) is 2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline.
What is the SMILES notation for 2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline?
The canonical SMILES for 2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline is C=CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1ccoc1C.
What is the InChIKey of 2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline?
The InChIKey is UHZCWAQQWNMTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-4-10-25-19(15-9-11-26-14(15)3)23-24-20(25)27-12-18-13(2)21-16-7-5-6-8-17(16)22-18/h4-9,11H,1,10,12H2,2-3H3.
What are the key properties of 2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline?
2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline has a molecular weight of 377.47 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline is sourced from PubChem (CID 2608043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).