2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one

C6H6N4O — CID 143285060

IUPAC2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
SMILESCn1[nH]c2ncncc2c1=O
InChIInChI=1S/C6H6N4O/c1-10-6(11)4-2-7-3-8-5(4)9-10/h2-3H,1H3,(H,7,8,9)
InChIKeyDOZWYAGXOHUOQH-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.34
Rot. Bonds

About 2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one

2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 143285060) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
PubChem CID143285060
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
SMILESCn1[nH]c2ncncc2c1=O
InChIInChI=1S/C6H6N4O/c1-10-6(11)4-2-7-3-8-5(4)9-10/h2-3H,1H3,(H,7,8,9)
InChIKeyDOZWYAGXOHUOQH-UHFFFAOYSA-N
XLogP-0.34
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 45080232
5-(2-amino-5-chloro-4-pyridinyl)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 171659479
6-methylpyrido[4,3-d]pyrimidin-5-one
CID 130723333
1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione
CID 175871069
6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid
CID 83882174
7-methylpyrrolo[2,3-d]pyrimidin-5-amine
CID 82375489
5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 126970379
7-amino-2-methyl-1H-indazol-3-one
CID 83805511
4-methyl-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one
CID 175763201
ethane;3-methyl-2H-phthalazine-1,4-dione
CID 162182328
5-[(5-aminopyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79917877
4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
CID 162388606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one (CID 143285060) is 2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one is Cn1[nH]c2ncncc2c1=O.
What is the InChIKey of 2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is DOZWYAGXOHUOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-10-6(11)4-2-7-3-8-5(4)9-10/h2-3H,1H3,(H,7,8,9).
What are the key properties of 2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one?
2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 150.14 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 143285060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).