4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C16H18N4O — CID 17091375

IUPAC4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1nnc2n(C3CCCC3)c(=O)c3ccccc3n12
InChIInChI=1S/C16H18N4O/c1-2-14-17-18-16-19(11-7-3-4-8-11)15(21)12-9-5-6-10-13(12)20(14)16/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyXNHWWDLJQWXGIP-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.72
Rot. Bonds2

About 4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 17091375) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID17091375
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1nnc2n(C3CCCC3)c(=O)c3ccccc3n12
InChIInChI=1S/C16H18N4O/c1-2-14-17-18-16-19(11-7-3-4-8-11)15(21)12-9-5-6-10-13(12)20(14)16/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyXNHWWDLJQWXGIP-UHFFFAOYSA-N
XLogP2.72
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 17091375) is 4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCc1nnc2n(C3CCCC3)c(=O)c3ccccc3n12.
What is the InChIKey of 4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is XNHWWDLJQWXGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-14-17-18-16-19(11-7-3-4-8-11)15(21)12-9-5-6-10-13(12)20(14)16/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 282.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 17091375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).