3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one

C15H10N4O — CID 135518105

IUPAC3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nnc(-c3ccccc3)n12
InChIInChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-18-17-13(19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)
InChIKeyMXOYCMSBTHYDJR-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.24
Rot. Bonds1

About 3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one

3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one (PubChem CID 135518105) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one.

Molecular Properties

Compound Name3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one
PubChem CID135518105
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nnc(-c3ccccc3)n12
InChIInChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-18-17-13(19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)
InChIKeyMXOYCMSBTHYDJR-UHFFFAOYSA-N
XLogP2.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one
CID 135577952
3-benzyl-7H-[1,2,4]triazino[4,3-c]quinazoline-4,6-dione
CID 135872932
8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one
CID 135545328
3-(4-methoxyphenyl)-7H-[1,2,4]triazino[4,3-c]quinazoline-4,6-dione
CID 135952265
5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene
CID 71482704
acetic acid;5H-benzimidazolo[1,2-c]quinazolin-6-one;ethane
CID 136503539
2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135623486
3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46044977
2-phenyl-3-(5-phenyltetrazol-1-yl)-1H-indole
CID 118908819
5-phenyltetrazolo[1,5-c]quinazoline
CID 613079
2-benzyl-6H-imidazo[1,2-c]quinazolin-5-one
CID 137310522
2-(4-bromophenyl)-6H-imidazo[1,2-c]quinazolin-5-one
CID 135496175

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one?
The IUPAC name of 3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one (CID 135518105) is 3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one.
What is the SMILES notation for 3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one?
The canonical SMILES for 3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one is O=c1[nH]c2ccccc2c2nnc(-c3ccccc3)n12.
What is the InChIKey of 3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one?
The InChIKey is MXOYCMSBTHYDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-18-17-13(19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20).
What are the key properties of 3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one?
3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one has a molecular weight of 262.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one is sourced from PubChem (CID 135518105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).