3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one

C12H10N4O — CID 20578627

IUPAC3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
SMILESCc1nnc2cc(-c3ccccc3)[nH]n2c1=O
InChIInChI=1S/C12H10N4O/c1-8-12(17)16-11(14-13-8)7-10(15-16)9-5-3-2-4-6-9/h2-7,15H,1H3
InChIKeyGGAMDIAQIRPLPM-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.39
Rot. Bonds1

About 3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one

3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one (PubChem CID 20578627) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
PubChem CID20578627
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
SMILESCc1nnc2cc(-c3ccccc3)[nH]n2c1=O
InChIInChI=1S/C12H10N4O/c1-8-12(17)16-11(14-13-8)7-10(15-16)9-5-3-2-4-6-9/h2-7,15H,1H3
InChIKeyGGAMDIAQIRPLPM-UHFFFAOYSA-N
XLogP1.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one (CID 20578627) is 3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one is Cc1nnc2cc(-c3ccccc3)[nH]n2c1=O.
What is the InChIKey of 3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one?
The InChIKey is GGAMDIAQIRPLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-12(17)16-11(14-13-8)7-10(15-16)9-5-3-2-4-6-9/h2-7,15H,1H3.
What are the key properties of 3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one?
3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one has a molecular weight of 226.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 20578627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).