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

C6H6N4O — CID 45080232

IUPAC1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one
SMILESCn1[nH]c(=O)c2cncnc21
InChIInChI=1S/C6H6N4O/c1-10-5-4(6(11)9-10)2-7-3-8-5/h2-3H,1H3,(H,9,11)
InChIKeyGOGWIEYQVGBUEO-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.34
Rot. Bonds

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

1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 45080232) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one
PubChem CID45080232
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one
SMILESCn1[nH]c(=O)c2cncnc21
InChIInChI=1S/C6H6N4O/c1-10-5-4(6(11)9-10)2-7-3-8-5/h2-3H,1H3,(H,9,11)
InChIKeyGOGWIEYQVGBUEO-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

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Related Compounds

2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
CID 143285060
1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 141187631
1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 134501465
1-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-one
CID 67989684
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
7-methylpyrrolo[2,3-d]pyrimidin-5-amine
CID 82375489
1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid
CID 84656301
ethane;3-methyl-2H-phthalazine-1,4-dione
CID 162182328
6-methylpyrido[4,3-d]pyrimidin-5-one
CID 130723333
8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 175780838
6-bromo-1-methyl-2H-pyrazolo[4,3-b]pyridin-3-one
CID 137497777
6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 175780859

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one (CID 45080232) is 1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one is Cn1[nH]c(=O)c2cncnc21.
What is the InChIKey of 1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is GOGWIEYQVGBUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-10-5-4(6(11)9-10)2-7-3-8-5/h2-3H,1H3,(H,9,11).
What are the key properties of 1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one?
1-methyl-2H-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 1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 45080232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).