6-methyl-3H-pyrazolo[3,4-d]triazin-4-one

C5H5N5O — CID 135445606

IUPAC6-methyl-3H-pyrazolo[3,4-d]triazin-4-one
SMILESCn1cc2c(=O)[nH]nnc2n1
InChIInChI=1S/C5H5N5O/c1-10-2-3-4(8-10)6-9-7-5(3)11/h2H,1H3,(H,6,7,8,11)
InChIKeyXLBAAHKAAPIGBG-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.95
Rot. Bonds

About 6-methyl-3H-pyrazolo[3,4-d]triazin-4-one

6-methyl-3H-pyrazolo[3,4-d]triazin-4-one (PubChem CID 135445606) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 6-methyl-3H-pyrazolo[3,4-d]triazin-4-one.

Molecular Properties

Compound Name6-methyl-3H-pyrazolo[3,4-d]triazin-4-one
PubChem CID135445606
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name6-methyl-3H-pyrazolo[3,4-d]triazin-4-one
SMILESCn1cc2c(=O)[nH]nnc2n1
InChIInChI=1S/C5H5N5O/c1-10-2-3-4(8-10)6-9-7-5(3)11/h2H,1H3,(H,6,7,8,11)
InChIKeyXLBAAHKAAPIGBG-UHFFFAOYSA-N
XLogP-0.95
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3H-pyrazolo[3,4-d]triazin-4-one?
The IUPAC name of 6-methyl-3H-pyrazolo[3,4-d]triazin-4-one (CID 135445606) is 6-methyl-3H-pyrazolo[3,4-d]triazin-4-one.
What is the SMILES notation for 6-methyl-3H-pyrazolo[3,4-d]triazin-4-one?
The canonical SMILES for 6-methyl-3H-pyrazolo[3,4-d]triazin-4-one is Cn1cc2c(=O)[nH]nnc2n1.
What is the InChIKey of 6-methyl-3H-pyrazolo[3,4-d]triazin-4-one?
The InChIKey is XLBAAHKAAPIGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c1-10-2-3-4(8-10)6-9-7-5(3)11/h2H,1H3,(H,6,7,8,11).
What are the key properties of 6-methyl-3H-pyrazolo[3,4-d]triazin-4-one?
6-methyl-3H-pyrazolo[3,4-d]triazin-4-one has a molecular weight of 151.13 g/mol, XLogP of -0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3H-pyrazolo[3,4-d]triazin-4-one is sourced from PubChem (CID 135445606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).