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

C13H12N4 — CID 86806672

IUPAC2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESc1ccc2c(c1)ncn1nc(C3CCC3)nc21
InChIInChI=1S/C13H12N4/c1-2-7-11-10(6-1)13-15-12(9-4-3-5-9)16-17(13)8-14-11/h1-2,6-9H,3-5H2
InChIKeyUQBQCLQIHVTJKD-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.55
Rot. Bonds1

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

2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 86806672) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID86806672
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESc1ccc2c(c1)ncn1nc(C3CCC3)nc21
InChIInChI=1S/C13H12N4/c1-2-7-11-10(6-1)13-15-12(9-4-3-5-9)16-17(13)8-14-11/h1-2,6-9H,3-5H2
InChIKeyUQBQCLQIHVTJKD-UHFFFAOYSA-N
XLogP2.55
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline (CID 86806672) is 2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline is c1ccc2c(c1)ncn1nc(C3CCC3)nc21.
What is the InChIKey of 2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is UQBQCLQIHVTJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-7-11-10(6-1)13-15-12(9-4-3-5-9)16-17(13)8-14-11/h1-2,6-9H,3-5H2.
What are the key properties of 2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline?
2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 224.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 86806672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).