1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C16H12N4O — CID 830875

IUPAC1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12
InChIInChI=1S/C16H12N4O/c1-11-17-18-16-19(11)14-10-6-5-9-13(14)15(21)20(16)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyNIUJIHZAECSZLY-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.34
Rot. Bonds1

About 1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 830875) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID830875
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12
InChIInChI=1S/C16H12N4O/c1-11-17-18-16-19(11)14-10-6-5-9-13(14)15(21)20(16)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyNIUJIHZAECSZLY-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
4-phenyltetrazolo[1,5-a]quinazolin-5(4H)-one
CID 650278
4-[3-(4-Benzhydrylpiperazin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 9826988
3-[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 16807350
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
1-(chloromethyl)-4-pentyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2090922
8-Methyl-3-[[4-(3-methylbutyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2119825
1-(chloromethyl)-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
CID 2125318
1-[[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2482938
1-[[Benzyl(methyl)amino]methyl]-4-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2568195
4-(3-Methylbutyl)-1-(morpholin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2608346

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 830875) is 1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12.
What is the InChIKey of 1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is NIUJIHZAECSZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-11-17-18-16-19(11)14-10-6-5-9-13(14)15(21)20(16)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-methyl-4-phenyl-[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 1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 830875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).