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

C15H7Cl3N4 — CID 4204979

IUPAC5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESClc1ccc(-c2nnc3c4ccccc4nc(Cl)n23)c(Cl)c1
InChIInChI=1S/C15H7Cl3N4/c16-8-5-6-9(11(17)7-8)13-20-21-14-10-3-1-2-4-12(10)19-15(18)22(13)14/h1-7H
InChIKeyITNFXKMKDARIJC-UHFFFAOYSA-N
MW349.61 g/mol
LogP4.90
Rot. Bonds1

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

5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 4204979) has the molecular formula C15H7Cl3N4 and a molecular weight of 349.61 g/mol. Its IUPAC name is 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID4204979
Molecular FormulaC15H7Cl3N4
Molecular Weight349.61 g/mol
Exact Mass347.97
IUPAC Name5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESClc1ccc(-c2nnc3c4ccccc4nc(Cl)n23)c(Cl)c1
InChIInChI=1S/C15H7Cl3N4/c16-8-5-6-9(11(17)7-8)13-20-21-14-10-3-1-2-4-12(10)19-15(18)22(13)14/h1-7H
InChIKeyITNFXKMKDARIJC-UHFFFAOYSA-N
XLogP4.90
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline (CID 4204979) is 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline is Clc1ccc(-c2nnc3c4ccccc4nc(Cl)n23)c(Cl)c1.
What is the InChIKey of 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is ITNFXKMKDARIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl3N4/c16-8-5-6-9(11(17)7-8)13-20-21-14-10-3-1-2-4-12(10)19-15(18)22(13)14/h1-7H.
What are the key properties of 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline?
5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 349.61 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 4204979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).