3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane

C9H14N4O — CID 145199330

IUPAC3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane
SMILESCC.Cc1nc2n[nH]c(C)c2c(=O)[nH]1
InChIInChI=1S/C7H8N4O.C2H6/c1-3-5-6(11-10-3)8-4(2)9-7(5)12;1-2/h1-2H3,(H2,8,9,10,11,12);1-2H3
InChIKeyHFWFRSMURNLJAX-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.29
Rot. Bonds

About 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane

3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane (PubChem CID 145199330) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane
PubChem CID145199330
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane
SMILESCC.Cc1nc2n[nH]c(C)c2c(=O)[nH]1
InChIInChI=1S/C7H8N4O.C2H6/c1-3-5-6(11-10-3)8-4(2)9-7(5)12;1-2/h1-2H3,(H2,8,9,10,11,12);1-2H3
InChIKeyHFWFRSMURNLJAX-UHFFFAOYSA-N
XLogP1.29
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane?
The IUPAC name of 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane (CID 145199330) is 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane.
What is the SMILES notation for 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane?
The canonical SMILES for 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane is CC.Cc1nc2n[nH]c(C)c2c(=O)[nH]1.
What is the InChIKey of 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane?
The InChIKey is HFWFRSMURNLJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O.C2H6/c1-3-5-6(11-10-3)8-4(2)9-7(5)12;1-2/h1-2H3,(H2,8,9,10,11,12);1-2H3.
What are the key properties of 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane?
3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane has a molecular weight of 194.24 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane is sourced from PubChem (CID 145199330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).