9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline

C13H11ClN4 — CID 91653372

IUPAC9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESClc1ccc2ncn3nc(C4CCC4)nc3c2c1
InChIInChI=1S/C13H11ClN4/c14-9-4-5-11-10(6-9)13-16-12(8-2-1-3-8)17-18(13)7-15-11/h4-8H,1-3H2
InChIKeyVROZMVXGLWAYOB-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.20
Rot. Bonds1

About 9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline

9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 91653372) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID91653372
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESClc1ccc2ncn3nc(C4CCC4)nc3c2c1
InChIInChI=1S/C13H11ClN4/c14-9-4-5-11-10(6-9)13-16-12(8-2-1-3-8)17-18(13)7-15-11/h4-8H,1-3H2
InChIKeyVROZMVXGLWAYOB-UHFFFAOYSA-N
XLogP3.20
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline (CID 91653372) is 9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline is Clc1ccc2ncn3nc(C4CCC4)nc3c2c1.
What is the InChIKey of 9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is VROZMVXGLWAYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-9-4-5-11-10(6-9)13-16-12(8-2-1-3-8)17-18(13)7-15-11/h4-8H,1-3H2.
What are the key properties of 9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline?
9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 258.71 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 91653372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).