3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one

C11H16N4O — CID 3061965

IUPAC3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1[nH]nc2c(=O)n(CCC(C)C)cnc12
InChIInChI=1S/C11H16N4O/c1-7(2)4-5-15-6-12-9-8(3)13-14-10(9)11(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyLJCNZOJSNKFGEE-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.47
Rot. Bonds3

About 3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one

3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 3061965) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID3061965
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1[nH]nc2c(=O)n(CCC(C)C)cnc12
InChIInChI=1S/C11H16N4O/c1-7(2)4-5-15-6-12-9-8(3)13-14-10(9)11(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyLJCNZOJSNKFGEE-UHFFFAOYSA-N
XLogP1.47
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one (CID 3061965) is 3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one is Cc1[nH]nc2c(=O)n(CCC(C)C)cnc12.
What is the InChIKey of 3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is LJCNZOJSNKFGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7(2)4-5-15-6-12-9-8(3)13-14-10(9)11(15)16/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one?
3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 220.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3-methylbutyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 3061965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).