5-chloro-3-phenyltriazolo[1,5-a]quinazoline

C15H9ClN4 — CID 10707928

IUPAC5-chloro-3-phenyltriazolo[1,5-a]quinazoline
SMILESClc1nc2c(-c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C15H9ClN4/c16-14-11-8-4-5-9-12(11)20-15(17-14)13(18-19-20)10-6-2-1-3-7-10/h1-9H
InChIKeyWMODRRDEXUWTIG-UHFFFAOYSA-N
MW280.72 g/mol
LogP3.60
Rot. Bonds1

About 5-chloro-3-phenyltriazolo[1,5-a]quinazoline

5-chloro-3-phenyltriazolo[1,5-a]quinazoline (PubChem CID 10707928) has the molecular formula C15H9ClN4 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-chloro-3-phenyltriazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-chloro-3-phenyltriazolo[1,5-a]quinazoline
PubChem CID10707928
Molecular FormulaC15H9ClN4
Molecular Weight280.72 g/mol
Exact Mass280.05
IUPAC Name5-chloro-3-phenyltriazolo[1,5-a]quinazoline
SMILESClc1nc2c(-c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C15H9ClN4/c16-14-11-8-4-5-9-12(11)20-15(17-14)13(18-19-20)10-6-2-1-3-7-10/h1-9H
InChIKeyWMODRRDEXUWTIG-UHFFFAOYSA-N
XLogP3.60
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyltriazolo[1,5-a]quinazoline?
The IUPAC name of 5-chloro-3-phenyltriazolo[1,5-a]quinazoline (CID 10707928) is 5-chloro-3-phenyltriazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-chloro-3-phenyltriazolo[1,5-a]quinazoline?
The canonical SMILES for 5-chloro-3-phenyltriazolo[1,5-a]quinazoline is Clc1nc2c(-c3ccccc3)nnn2c2ccccc12.
What is the InChIKey of 5-chloro-3-phenyltriazolo[1,5-a]quinazoline?
The InChIKey is WMODRRDEXUWTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4/c16-14-11-8-4-5-9-12(11)20-15(17-14)13(18-19-20)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 5-chloro-3-phenyltriazolo[1,5-a]quinazoline?
5-chloro-3-phenyltriazolo[1,5-a]quinazoline has a molecular weight of 280.72 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyltriazolo[1,5-a]quinazoline is sourced from PubChem (CID 10707928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).