2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline

C15H8Cl2N4 — CID 175889764

IUPAC2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESClc1cccc(-c2nc3c4ccccc4ncn3n2)c1Cl
InChIInChI=1S/C15H8Cl2N4/c16-11-6-3-5-10(13(11)17)14-19-15-9-4-1-2-7-12(9)18-8-21(15)20-14/h1-8H
InChIKeyZJPIYXWBLREXHM-UHFFFAOYSA-N
MW315.16 g/mol
LogP4.25
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline

2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 175889764) has the molecular formula C15H8Cl2N4 and a molecular weight of 315.16 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID175889764
Molecular FormulaC15H8Cl2N4
Molecular Weight315.16 g/mol
Exact Mass314.01
IUPAC Name2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESClc1cccc(-c2nc3c4ccccc4ncn3n2)c1Cl
InChIInChI=1S/C15H8Cl2N4/c16-11-6-3-5-10(13(11)17)14-19-15-9-4-1-2-7-12(9)18-8-21(15)20-14/h1-8H
InChIKeyZJPIYXWBLREXHM-UHFFFAOYSA-N
XLogP4.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 175889764) is 2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline is Clc1cccc(-c2nc3c4ccccc4ncn3n2)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is ZJPIYXWBLREXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4/c16-11-6-3-5-10(13(11)17)14-19-15-9-4-1-2-7-12(9)18-8-21(15)20-14/h1-8H.
What are the key properties of 2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 315.16 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 175889764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).