5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline

C12H12N4 — CID 166904022

IUPAC5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCC(C)c1nc2nncn2c2ccccc12
InChIInChI=1S/C12H12N4/c1-8(2)11-9-5-3-4-6-10(9)16-7-13-15-12(16)14-11/h3-8H,1-2H3
InChIKeyUXXHKNQRZGBRRI-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.40
Rot. Bonds1

About 5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline

5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 166904022) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

Compound Name5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline
PubChem CID166904022
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCC(C)c1nc2nncn2c2ccccc12
InChIInChI=1S/C12H12N4/c1-8(2)11-9-5-3-4-6-10(9)16-7-13-15-12(16)14-11/h3-8H,1-2H3
InChIKeyUXXHKNQRZGBRRI-UHFFFAOYSA-N
XLogP2.40
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline?
The IUPAC name of 5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline (CID 166904022) is 5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline.
What is the SMILES notation for 5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline?
The canonical SMILES for 5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline is CC(C)c1nc2nncn2c2ccccc12.
What is the InChIKey of 5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline?
The InChIKey is UXXHKNQRZGBRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-8(2)11-9-5-3-4-6-10(9)16-7-13-15-12(16)14-11/h3-8H,1-2H3.
What are the key properties of 5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline?
5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 212.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 166904022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).