6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C6H6N4O — CID 135456970

IUPAC6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c1-3-8-5-4(2-7-10-5)6(11)9-3/h2H,1H3,(H2,7,8,9,10,11)
InChIKeyOCEQBYVMMNGTIV-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.05
Rot. Bonds

About 6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135456970) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135456970
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c1-3-8-5-4(2-7-10-5)6(11)9-3/h2H,1H3,(H2,7,8,9,10,11)
InChIKeyOCEQBYVMMNGTIV-UHFFFAOYSA-N
XLogP-0.05
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Allopurinol
CID 135401907
Happ
CID 135403386
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
Allopurinol (monosodium salt)
CID 135534565
6-(propylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517169
6-Ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135517158
6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135483440
6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135682068
N-tert-butyl-2-({4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
CID 135472824
N,N-diethyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135472826
6-(butylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517173
6-(isopropylthio)-1,2,5,7-tetraaza-1,5-dihydro-4H-inden-4-one
CID 135541106

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135456970) is 6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OCEQBYVMMNGTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-3-8-5-4(2-7-10-5)6(11)9-3/h2H,1H3,(H2,7,8,9,10,11).
What are the key properties of 6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 150.14 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135456970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).