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

C7H8N4O — CID 135457239

IUPAC1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C7H8N4O/c1-4-9-6-5(7(12)10-4)3-8-11(6)2/h3H,1-2H3,(H,9,10,12)
InChIKeyDMJHUIQXUFMHBF-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.03
Rot. Bonds

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

1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135457239) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135457239
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C7H8N4O/c1-4-9-6-5(7(12)10-4)3-8-11(6)2/h3H,1-2H3,(H,9,10,12)
InChIKeyDMJHUIQXUFMHBF-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

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxamide
CID 1263609
1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 219764
1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
7-Methyl-7H-pyrazolo(3,4-d)(1,2,3)triazin-4-ol
CID 135495349
6-(Cyclohexylmethyl)-1-(1-ethylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135422930
6-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135456970
5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408778
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
6-[(1R)-1-(azetidin-1-yl)ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236306
3-Methyl-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 13282219

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135457239) is 1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2C)c(=O)[nH]1.
What is the InChIKey of 1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DMJHUIQXUFMHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-9-6-5(7(12)10-4)3-8-11(6)2/h3H,1-2H3,(H,9,10,12).
What are the key properties of 1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-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 1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135457239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).