3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one

C16H14N6O — CID 67886911

IUPAC3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2cnc(-n3cc(C4CC4)nn3)c12
InChIInChI=1S/C16H14N6O/c1-20-15-14(22-8-12(18-19-22)10-6-7-10)17-9-21(15)13-5-3-2-4-11(13)16(20)23/h2-5,8-10H,6-7H2,1H3
InChIKeyQWAYDWCHMFCKQA-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.64
Rot. Bonds2

About 3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one

3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one (PubChem CID 67886911) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one
PubChem CID67886911
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2cnc(-n3cc(C4CC4)nn3)c12
InChIInChI=1S/C16H14N6O/c1-20-15-14(22-8-12(18-19-22)10-6-7-10)17-9-21(15)13-5-3-2-4-11(13)16(20)23/h2-5,8-10H,6-7H2,1H3
InChIKeyQWAYDWCHMFCKQA-UHFFFAOYSA-N
XLogP1.64
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one (CID 67886911) is 3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccccc2n2cnc(-n3cc(C4CC4)nn3)c12.
What is the InChIKey of 3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one?
The InChIKey is QWAYDWCHMFCKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-20-15-14(22-8-12(18-19-22)10-6-7-10)17-9-21(15)13-5-3-2-4-11(13)16(20)23/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one?
3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one has a molecular weight of 306.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 67886911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).