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

C16H12N4O — CID 13057685

IUPAC4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1cccc(-n2c(=O)c3ccccc3n3cnnc23)c1
InChIInChI=1S/C16H12N4O/c1-11-5-4-6-12(9-11)20-15(21)13-7-2-3-8-14(13)19-10-17-18-16(19)20/h2-10H,1H3
InChIKeySYWZDHBYPJEYPA-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.34
Rot. Bonds1

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

4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 13057685) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID13057685
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1cccc(-n2c(=O)c3ccccc3n3cnnc23)c1
InChIInChI=1S/C16H12N4O/c1-11-5-4-6-12(9-11)20-15(21)13-7-2-3-8-14(13)19-10-17-18-16(19)20/h2-10H,1H3
InChIKeySYWZDHBYPJEYPA-UHFFFAOYSA-N
XLogP2.34
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 13057685) is 4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cc1cccc(-n2c(=O)c3ccccc3n3cnnc23)c1.
What is the InChIKey of 4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is SYWZDHBYPJEYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-11-5-4-6-12(9-11)20-15(21)13-7-2-3-8-14(13)19-10-17-18-16(19)20/h2-10H,1H3.
What are the key properties of 4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 276.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 13057685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).