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

C7H9N5O — CID 136596195

IUPAC5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)[nH]c(N)nc12
InChIInChI=1S/C7H9N5O/c1-3-4-5(12(2)11-3)6(13)10-7(8)9-4/h1-2H3,(H3,8,9,10,13)
InChIKeyKQFBHUGRVJOKQV-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.45
Rot. Bonds

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

5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 136596195) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID136596195
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)[nH]c(N)nc12
InChIInChI=1S/C7H9N5O/c1-3-4-5(12(2)11-3)6(13)10-7(8)9-4/h1-2H3,(H3,8,9,10,13)
InChIKeyKQFBHUGRVJOKQV-UHFFFAOYSA-N
XLogP-0.45
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 136596195) is 5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cc1nn(C)c2c(=O)[nH]c(N)nc12.
What is the InChIKey of 5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is KQFBHUGRVJOKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-3-4-5(12(2)11-3)6(13)10-7(8)9-4/h1-2H3,(H3,8,9,10,13).
What are the key properties of 5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 179.18 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 136596195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).