2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one

C16H12N4O2 — CID 3079200

IUPAC2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one
SMILESCOc1ccc(-n2nc3c4ccccc4cnn3c2=O)cc1
InChIInChI=1S/C16H12N4O2/c1-22-13-8-6-12(7-9-13)19-16(21)20-15(18-19)14-5-3-2-4-11(14)10-17-20/h2-10H,1H3
InChIKeyYSWIMZMBBZSYDI-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.04
Rot. Bonds2

About 2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one

2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one (PubChem CID 3079200) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one
PubChem CID3079200
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one
SMILESCOc1ccc(-n2nc3c4ccccc4cnn3c2=O)cc1
InChIInChI=1S/C16H12N4O2/c1-22-13-8-6-12(7-9-13)19-16(21)20-15(18-19)14-5-3-2-4-11(14)10-17-20/h2-10H,1H3
InChIKeyYSWIMZMBBZSYDI-UHFFFAOYSA-N
XLogP2.04
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one
CID 101148539
2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 177452003
1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one
CID 16579069
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one
CID 110192745
1-(4-methoxyphenyl)-4-methyltetrazol-5-one
CID 139194376
5-chloro-4-(4-methoxyphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 50904469
2-(4-methoxyphenyl)-4-[6-[1-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]hexyl]-1,2,4-triazol-3-one
CID 155809416
2-(4-phenylphenyl)phthalazin-1-one
CID 71501176
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
2-[2-amino-2-(4-methoxyphenyl)ethyl]phthalazin-1-one
CID 16782663

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one (CID 3079200) is 2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one is COc1ccc(-n2nc3c4ccccc4cnn3c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
The InChIKey is YSWIMZMBBZSYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-22-13-8-6-12(7-9-13)19-16(21)20-15(18-19)14-5-3-2-4-11(14)10-17-20/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one has a molecular weight of 292.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one is sourced from PubChem (CID 3079200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).