2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C16H12N4O2 — CID 135495513

IUPAC2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1ccc(-c2nc3c4ccccc4[nH]c(=O)n3n2)cc1
InChIInChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-12-4-2-3-5-13(12)17-16(21)20(15)19-14/h2-9H,1H3,(H,17,21)
InChIKeyYWLPLPFQIZRBPX-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.25
Rot. Bonds2

About 2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135495513) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135495513
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1ccc(-c2nc3c4ccccc4[nH]c(=O)n3n2)cc1
InChIInChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-12-4-2-3-5-13(12)17-16(21)20(15)19-14/h2-9H,1H3,(H,17,21)
InChIKeyYWLPLPFQIZRBPX-UHFFFAOYSA-N
XLogP2.25
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135495513) is 2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is COc1ccc(-c2nc3c4ccccc4[nH]c(=O)n3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is YWLPLPFQIZRBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-12-4-2-3-5-13(12)17-16(21)20(15)19-14/h2-9H,1H3,(H,17,21).
What are the key properties of 2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 292.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135495513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).