4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C17H14N4O — CID 17091297

IUPAC4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1ccc(C)c(-n2c(=O)c3ccccc3n3cnnc23)c1
InChIInChI=1S/C17H14N4O/c1-11-7-8-12(2)15(9-11)21-16(22)13-5-3-4-6-14(13)20-10-18-19-17(20)21/h3-10H,1-2H3
InChIKeyBGFJVOIDSVYDMD-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.65
Rot. Bonds1

About 4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 17091297) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID17091297
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1ccc(C)c(-n2c(=O)c3ccccc3n3cnnc23)c1
InChIInChI=1S/C17H14N4O/c1-11-7-8-12(2)15(9-11)21-16(22)13-5-3-4-6-14(13)20-10-18-19-17(20)21/h3-10H,1-2H3
InChIKeyBGFJVOIDSVYDMD-UHFFFAOYSA-N
XLogP2.65
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 17091297) is 4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cc1ccc(C)c(-n2c(=O)c3ccccc3n3cnnc23)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is BGFJVOIDSVYDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-11-7-8-12(2)15(9-11)21-16(22)13-5-3-4-6-14(13)20-10-18-19-17(20)21/h3-10H,1-2H3.
What are the key properties of 4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 290.33 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 17091297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).