5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one

C11H16N4O — CID 90837139

IUPAC5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCc1[nH]nc2c(=O)n(C)c(CC)nc12
InChIInChI=1S/C11H16N4O/c1-4-6-7-9-10(14-13-7)11(16)15(3)8(5-2)12-9/h4-6H2,1-3H3,(H,13,14)
InChIKeyQQIGJSZPQLKTHE-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.17
Rot. Bonds3

About 5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one

5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 90837139) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID90837139
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCc1[nH]nc2c(=O)n(C)c(CC)nc12
InChIInChI=1S/C11H16N4O/c1-4-6-7-9-10(14-13-7)11(16)15(3)8(5-2)12-9/h4-6H2,1-3H3,(H,13,14)
InChIKeyQQIGJSZPQLKTHE-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one (CID 90837139) is 5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one is CCCc1[nH]nc2c(=O)n(C)c(CC)nc12.
What is the InChIKey of 5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is QQIGJSZPQLKTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-4-6-7-9-10(14-13-7)11(16)15(3)8(5-2)12-9/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 220.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 90837139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).