1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one

C7H8N4O — CID 137300644

IUPAC1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one
SMILESCc1nn(C)c2[nH]c(=O)ncc12
InChIInChI=1S/C7H8N4O/c1-4-5-3-8-7(12)9-6(5)11(2)10-4/h3H,1-2H3,(H,8,9,12)
InChIKeyCTILHGQSFWNUHN-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.03
Rot. Bonds

About 1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one

1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one (PubChem CID 137300644) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one
PubChem CID137300644
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one
SMILESCc1nn(C)c2[nH]c(=O)ncc12
InChIInChI=1S/C7H8N4O/c1-4-5-3-8-7(12)9-6(5)11(2)10-4/h3H,1-2H3,(H,8,9,12)
InChIKeyCTILHGQSFWNUHN-UHFFFAOYSA-N
XLogP-0.03
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one
CID 135839416
1,3,6-trimethylpyrazolo[3,4-d]pyrimidine
CID 58861824
5-methyl-1H-quinazolin-2-one
CID 90281623
6-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione
CID 82409796
1,3-dimethyl-6H-pyrazolo[5,4-c]pyridin-7-one
CID 178149045
1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135772535
5-hydroxy-6-methyl-1H-pyrimidin-2-one
CID 158606777
(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane
CID 148787095
1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135426858
1-methyl-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135436410
3,6-dimethyl-4H-imidazo[4,5-b]pyridin-5-one
CID 23298376
6-bromo-1,3-dimethyl-8H-pyrazolo[4,5-g]quinolin-7-one
CID 137103614

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one?
The IUPAC name of 1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one (CID 137300644) is 1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one.
What is the SMILES notation for 1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one?
The canonical SMILES for 1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one is Cc1nn(C)c2[nH]c(=O)ncc12.
What is the InChIKey of 1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one?
The InChIKey is CTILHGQSFWNUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-5-3-8-7(12)9-6(5)11(2)10-4/h3H,1-2H3,(H,8,9,12).
What are the key properties of 1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one?
1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one has a molecular weight of 164.17 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one is sourced from PubChem (CID 137300644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).