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

C17H14N4O — CID 12957684

IUPAC1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12
InChIInChI=1S/C17H14N4O/c1-2-15-18-19-17-20(12-8-4-3-5-9-12)16(22)13-10-6-7-11-14(13)21(15)17/h3-11H,2H2,1H3
InChIKeyMVDFSVCUNVJIIA-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.60
Rot. Bonds2

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

1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 12957684) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID12957684
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12
InChIInChI=1S/C17H14N4O/c1-2-15-18-19-17-20(12-8-4-3-5-9-12)16(22)13-10-6-7-11-14(13)21(15)17/h3-11H,2H2,1H3
InChIKeyMVDFSVCUNVJIIA-UHFFFAOYSA-N
XLogP2.60
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091365
1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091370
4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091359
4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091375
4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 42600700
1-(2-chlorophenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 42597297
1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091379
(2S)-2-[(5-oxo-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanenitrile
CID 7877677
2-ethyl-3-phenylquinazolin-4-one
CID 719985
N'-acetyl-2-[(5-oxo-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetohydrazide
CID 7877648
1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 94830242
1-[2-(3-methylphenoxy)ethylsulfanyl]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2426640

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 12957684) is 1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12.
What is the InChIKey of 1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is MVDFSVCUNVJIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-15-18-19-17-20(12-8-4-3-5-9-12)16(22)13-10-6-7-11-14(13)21(15)17/h3-11H,2H2,1H3.
What are the key properties of 1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 290.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 12957684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).