6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one

C15H10N4O — CID 23875751

IUPAC6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one
SMILESO=c1[nH]nc2c3ccccc3c(-c3ccccc3)nn12
InChIInChI=1S/C15H10N4O/c20-15-17-16-14-12-9-5-4-8-11(12)13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,17,20)
InChIKeyYXKUYMKOHAJVKG-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.24
Rot. Bonds1

About 6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one

6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one (PubChem CID 23875751) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one.

Molecular Properties

Compound Name6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one
PubChem CID23875751
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one
SMILESO=c1[nH]nc2c3ccccc3c(-c3ccccc3)nn12
InChIInChI=1S/C15H10N4O/c20-15-17-16-14-12-9-5-4-8-11(12)13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,17,20)
InChIKeyYXKUYMKOHAJVKG-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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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
The IUPAC name of 6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one (CID 23875751) is 6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one.
What is the SMILES notation for 6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
The canonical SMILES for 6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one is O=c1[nH]nc2c3ccccc3c(-c3ccccc3)nn12.
What is the InChIKey of 6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
The InChIKey is YXKUYMKOHAJVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c20-15-17-16-14-12-9-5-4-8-11(12)13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,17,20).
What are the key properties of 6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one?
6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-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 6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one is sourced from PubChem (CID 23875751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).