2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine

C18H16N6S — CID 66805018

IUPAC2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine
SMILESCSc1n[nH]c(Nc2nc(-c3ccccc3C)nc3ccccc23)n1
InChIInChI=1S/C18H16N6S/c1-11-7-3-4-8-12(11)15-19-14-10-6-5-9-13(14)16(20-15)21-17-22-18(25-2)24-23-17/h3-10H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyBKLGNEMATAEVEQ-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.19
Rot. Bonds4

About 2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine

2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine (PubChem CID 66805018) has the molecular formula C18H16N6S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine
PubChem CID66805018
Molecular FormulaC18H16N6S
Molecular Weight348.44 g/mol
Exact Mass348.12
IUPAC Name2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine
SMILESCSc1n[nH]c(Nc2nc(-c3ccccc3C)nc3ccccc23)n1
InChIInChI=1S/C18H16N6S/c1-11-7-3-4-8-12(11)15-19-14-10-6-5-9-13(14)16(20-15)21-17-22-18(25-2)24-23-17/h3-10H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyBKLGNEMATAEVEQ-UHFFFAOYSA-N
XLogP4.19
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine 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-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine (CID 66805018) is 2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine is CSc1n[nH]c(Nc2nc(-c3ccccc3C)nc3ccccc23)n1.
What is the InChIKey of 2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
The InChIKey is BKLGNEMATAEVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S/c1-11-7-3-4-8-12(11)15-19-14-10-6-5-9-13(14)16(20-15)21-17-22-18(25-2)24-23-17/h3-10H,1-2H3,(H2,19,20,21,22,23,24).
What are the key properties of 2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine has a molecular weight of 348.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 66805018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).