1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

C6H6N4O2 — CID 135408512

IUPAC1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCn1ncc2c(=O)[nH]c(=O)[nH]c21
InChIInChI=1S/C6H6N4O2/c1-10-4-3(2-7-10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
InChIKeyVYKLSJJNTNVPFG-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.05
Rot. Bonds

About 1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 135408512) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID135408512
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCn1ncc2c(=O)[nH]c(=O)[nH]c21
InChIInChI=1S/C6H6N4O2/c1-10-4-3(2-7-10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
InChIKeyVYKLSJJNTNVPFG-UHFFFAOYSA-N
XLogP-1.05
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Oxypurinol
CID 135398752
1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
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
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
3-Methyl-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 13282219
4,9-Dimethyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,6-diene-3,5-dione
CID 135426858
1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-
CID 331886
5-ethyl-7-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CID 396525
1-Propanoyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135412639
1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135535880
6-Hydrazinyl-1,5-dihydro-1-methyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135431257

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of 1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione (CID 135408512) is 1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione is Cn1ncc2c(=O)[nH]c(=O)[nH]c21.
What is the InChIKey of 1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is VYKLSJJNTNVPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-10-4-3(2-7-10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12).
What are the key properties of 1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 166.14 g/mol, XLogP of -1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 135408512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).