4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C22H23N5O — CID 10109892

IUPAC4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCNc1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(C3CCCC3)n21
InChIInChI=1S/C22H23N5O/c1-23-17-11-12-19-18(13-17)21(28)26(14-15-7-3-2-4-8-15)22-25-24-20(27(19)22)16-9-5-6-10-16/h2-4,7-8,11-13,16,23H,5-6,9-10,14H2,1H3
InChIKeyUUKRNMLIJVQMSJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.79
Rot. Bonds4

About 4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 10109892) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID10109892
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCNc1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(C3CCCC3)n21
InChIInChI=1S/C22H23N5O/c1-23-17-11-12-19-18(13-17)21(28)26(14-15-7-3-2-4-8-15)22-25-24-20(27(19)22)16-9-5-6-10-16/h2-4,7-8,11-13,16,23H,5-6,9-10,14H2,1H3
InChIKeyUUKRNMLIJVQMSJ-UHFFFAOYSA-N
XLogP3.79
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 10109892) is 4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CNc1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(C3CCCC3)n21.
What is the InChIKey of 4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is UUKRNMLIJVQMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-23-17-11-12-19-18(13-17)21(28)26(14-15-7-3-2-4-8-15)22-25-24-20(27(19)22)16-9-5-6-10-16/h2-4,7-8,11-13,16,23H,5-6,9-10,14H2,1H3.
What are the key properties of 4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 373.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-cyclopentyl-7-(methylamino)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 10109892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).