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

C16H12N4O — CID 2354700

IUPAC4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1ccccc1-n1c(=O)c2ccccc2n2cnnc12
InChIInChI=1S/C16H12N4O/c1-11-6-2-4-8-13(11)20-15(21)12-7-3-5-9-14(12)19-10-17-18-16(19)20/h2-10H,1H3
InChIKeyPGPCDIBJNJCRKO-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.34
Rot. Bonds1

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

4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 2354700) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID2354700
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1ccccc1-n1c(=O)c2ccccc2n2cnnc12
InChIInChI=1S/C16H12N4O/c1-11-6-2-4-8-13(11)20-15(21)12-7-3-5-9-14(12)19-10-17-18-16(19)20/h2-10H,1H3
InChIKeyPGPCDIBJNJCRKO-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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Related Compounds

1-(chloromethyl)-4-methyl-4H,5H-(1,2,4)triazolo(4,3-a)quinazolin-5-one
CID 2560531
N,N-dimethyl-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2429151
2-[(5-Oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2493330
4-(2-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
CID 709943
4-phenyltetrazolo[1,5-a]quinazolin-5(4H)-one
CID 650278
4H,5H-(1,2,4)triazolo(4,3-a)quinazolin-5-one
CID 135450456
1-[2-(3,4-Dihydro-2H-quinolin-1-yl)-2-oxo-ethylsulfanyl]-4-ethyl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 649447
4-(o-tolyl)tetrazolo[1,5-a]quinazolin-5(4H)-one
CID 654449
4-amino-1-(benzylthio)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
CID 969752
7-[(5-Oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2110751
2-[(5-Oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2413312
1-Phenacylsulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2493568

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 2354700) is 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cc1ccccc1-n1c(=O)c2ccccc2n2cnnc12.
What is the InChIKey of 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is PGPCDIBJNJCRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-11-6-2-4-8-13(11)20-15(21)12-7-3-5-9-14(12)19-10-17-18-16(19)20/h2-10H,1H3.
What are the key properties of 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-(2-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-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 2354700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).