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

C15H9ClN4O — CID 3079195

IUPAC2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one
SMILESO=c1n(-c2cccc(Cl)c2)nc2c3ccccc3cnn12
InChIInChI=1S/C15H9ClN4O/c16-11-5-3-6-12(8-11)19-15(21)20-14(18-19)13-7-2-1-4-10(13)9-17-20/h1-9H
InChIKeyIXIRYDDNFXXPGK-UHFFFAOYSA-N
MW296.72 g/mol
LogP2.69
Rot. Bonds1

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

2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one (PubChem CID 3079195) has the molecular formula C15H9ClN4O and a molecular weight of 296.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one
PubChem CID3079195
Molecular FormulaC15H9ClN4O
Molecular Weight296.72 g/mol
Exact Mass296.05
IUPAC Name2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one
SMILESO=c1n(-c2cccc(Cl)c2)nc2c3ccccc3cnn12
InChIInChI=1S/C15H9ClN4O/c16-11-5-3-6-12(8-11)19-15(21)20-14(18-19)13-7-2-1-4-10(13)9-17-20/h1-9H
InChIKeyIXIRYDDNFXXPGK-UHFFFAOYSA-N
XLogP2.69
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
The IUPAC name of 2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one (CID 3079195) is 2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one is O=c1n(-c2cccc(Cl)c2)nc2c3ccccc3cnn12.
What is the InChIKey of 2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
The InChIKey is IXIRYDDNFXXPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O/c16-11-5-3-6-12(8-11)19-15(21)20-14(18-19)13-7-2-1-4-10(13)9-17-20/h1-9H.
What are the key properties of 2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one has a molecular weight of 296.72 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one is sourced from PubChem (CID 3079195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).