1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C7H9N5O — CID 135399242

IUPAC1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCNc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C7H9N5O/c1-8-7-10-5-4(6(13)11-7)3-9-12(5)2/h3H,1-2H3,(H2,8,10,11,13)
InChIKeyZSDQIHRCKCAGTH-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.30
Rot. Bonds1

About 1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135399242) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135399242
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCNc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C7H9N5O/c1-8-7-10-5-4(6(13)11-7)3-9-12(5)2/h3H,1-2H3,(H2,8,10,11,13)
InChIKeyZSDQIHRCKCAGTH-UHFFFAOYSA-N
XLogP-0.30
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
Happ
CID 135403386
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
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N,N-dimethylpropanamide
CID 155523485
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-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135399242) is 1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CNc1nc2c(cnn2C)c(=O)[nH]1.
What is the InChIKey of 1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZSDQIHRCKCAGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-8-7-10-5-4(6(13)11-7)3-9-12(5)2/h3H,1-2H3,(H2,8,10,11,13).
What are the key properties of 1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 179.18 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(methylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135399242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).