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

C9H14N4O — CID 142357915

IUPAC1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane
SMILESCC.Cc1nn(C)c2c(=O)[nH]cnc12
InChIInChI=1S/C7H8N4O.C2H6/c1-4-5-6(11(2)10-4)7(12)9-3-8-5;1-2/h3H,1-2H3,(H,8,9,12);1-2H3
InChIKeyJUJZKJJFFPIXSD-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.99
Rot. Bonds

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

1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane (PubChem CID 142357915) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane.

Molecular Properties

Compound Name1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane
PubChem CID142357915
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane
SMILESCC.Cc1nn(C)c2c(=O)[nH]cnc12
InChIInChI=1S/C7H8N4O.C2H6/c1-4-5-6(11(2)10-4)7(12)9-3-8-5;1-2/h3H,1-2H3,(H,8,9,12);1-2H3
InChIKeyJUJZKJJFFPIXSD-UHFFFAOYSA-N
XLogP0.99
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane?
The IUPAC name of 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane (CID 142357915) is 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane.
What is the SMILES notation for 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane?
The canonical SMILES for 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane is CC.Cc1nn(C)c2c(=O)[nH]cnc12.
What is the InChIKey of 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane?
The InChIKey is JUJZKJJFFPIXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O.C2H6/c1-4-5-6(11(2)10-4)7(12)9-3-8-5;1-2/h3H,1-2H3,(H,8,9,12);1-2H3.
What are the key properties of 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane?
1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane has a molecular weight of 194.24 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane is sourced from PubChem (CID 142357915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).