7-methyl-3H-pyrazolo[5,4-d]triazin-4-one

C5H5N5O — CID 135495349

IUPAC7-methyl-3H-pyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)[nH]nnc21
InChIInChI=1S/C5H5N5O/c1-10-4-3(2-6-10)5(11)8-9-7-4/h2H,1H3,(H,7,8,11)
InChIKeyLORDCFNFXHSGFR-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.95
Rot. Bonds

About 7-methyl-3H-pyrazolo[5,4-d]triazin-4-one

7-methyl-3H-pyrazolo[5,4-d]triazin-4-one (PubChem CID 135495349) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 7-methyl-3H-pyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name7-methyl-3H-pyrazolo[5,4-d]triazin-4-one
PubChem CID135495349
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name7-methyl-3H-pyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)[nH]nnc21
InChIInChI=1S/C5H5N5O/c1-10-4-3(2-6-10)5(11)8-9-7-4/h2H,1H3,(H,7,8,11)
InChIKeyLORDCFNFXHSGFR-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 7-methyl-3H-pyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 7-methyl-3H-pyrazolo[5,4-d]triazin-4-one (CID 135495349) is 7-methyl-3H-pyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 7-methyl-3H-pyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 7-methyl-3H-pyrazolo[5,4-d]triazin-4-one is Cn1ncc2c(=O)[nH]nnc21.
What is the InChIKey of 7-methyl-3H-pyrazolo[5,4-d]triazin-4-one?
The InChIKey is LORDCFNFXHSGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c1-10-4-3(2-6-10)5(11)8-9-7-4/h2H,1H3,(H,7,8,11).
What are the key properties of 7-methyl-3H-pyrazolo[5,4-d]triazin-4-one?
7-methyl-3H-pyrazolo[5,4-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 7-methyl-3H-pyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 135495349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).