5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine

C17H14N6O — CID 127042475

IUPAC5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine
SMILESCOc1ccc(-c2nc(N)n(-c3ncnc4ccccc34)n2)cc1
InChIInChI=1S/C17H14N6O/c1-24-12-8-6-11(7-9-12)15-21-17(18)23(22-15)16-13-4-2-3-5-14(13)19-10-20-16/h2-10H,1H3,(H2,18,21,22)
InChIKeyMMZQQABYVRYLSC-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.47
Rot. Bonds3

About 5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine

5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine (PubChem CID 127042475) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine
PubChem CID127042475
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine
SMILESCOc1ccc(-c2nc(N)n(-c3ncnc4ccccc34)n2)cc1
InChIInChI=1S/C17H14N6O/c1-24-12-8-6-11(7-9-12)15-21-17(18)23(22-15)16-13-4-2-3-5-14(13)19-10-20-16/h2-10H,1H3,(H2,18,21,22)
InChIKeyMMZQQABYVRYLSC-UHFFFAOYSA-N
XLogP2.47
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-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 5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine (CID 127042475) is 5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine is COc1ccc(-c2nc(N)n(-c3ncnc4ccccc34)n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine?
The InChIKey is MMZQQABYVRYLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-24-12-8-6-11(7-9-12)15-21-17(18)23(22-15)16-13-4-2-3-5-14(13)19-10-20-16/h2-10H,1H3,(H2,18,21,22).
What are the key properties of 5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine?
5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine has a molecular weight of 318.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 127042475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).