3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline

C17H12N4 — CID 6224024

IUPAC3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline
SMILESC(=C/c1nnc2c3ccccc3ncn12)\c1ccccc1
InChIInChI=1S/C17H12N4/c1-2-6-13(7-3-1)10-11-16-19-20-17-14-8-4-5-9-15(14)18-12-21(16)17/h1-12H/b11-10+
InChIKeyDXLKNLJOBCORBO-ZHACJKMWSA-N
MW272.31 g/mol
LogP3.45
Rot. Bonds2

About 3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline

3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 6224024) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID6224024
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline
SMILESC(=C/c1nnc2c3ccccc3ncn12)\c1ccccc1
InChIInChI=1S/C17H12N4/c1-2-6-13(7-3-1)10-11-16-19-20-17-14-8-4-5-9-15(14)18-12-21(16)17/h1-12H/b11-10+
InChIKeyDXLKNLJOBCORBO-ZHACJKMWSA-N
XLogP3.45
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline 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 3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline (CID 6224024) is 3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline is C(=C/c1nnc2c3ccccc3ncn12)\c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is DXLKNLJOBCORBO-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H12N4/c1-2-6-13(7-3-1)10-11-16-19-20-17-14-8-4-5-9-15(14)18-12-21(16)17/h1-12H/b11-10+.
What are the key properties of 3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline?
3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 272.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 6224024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).