3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C11H16N4O — CID 76848795

IUPAC3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCC1=NC2C(=NN=C2C(C)C)C(=O)N1
InChIInChI=1S/C11H16N4O/c1-4-5-7-12-9-8(6(2)3)14-15-10(9)11(16)13-7/h6,9H,4-5H2,1-3H3,(H,12,13,16)
InChIKeyRKQMXJDOJPWNCZ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.15
Rot. Bonds3

About 3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 76848795) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID76848795
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCC1=NC2C(=NN=C2C(C)C)C(=O)N1
InChIInChI=1S/C11H16N4O/c1-4-5-7-12-9-8(6(2)3)14-15-10(9)11(16)13-7/h6,9H,4-5H2,1-3H3,(H,12,13,16)
InChIKeyRKQMXJDOJPWNCZ-UHFFFAOYSA-N
XLogP1.15
TPSA66.18 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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 76848795) is 3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CCCC1=NC2C(=NN=C2C(C)C)C(=O)N1.
What is the InChIKey of 3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is RKQMXJDOJPWNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-4-5-7-12-9-8(6(2)3)14-15-10(9)11(16)13-7/h6,9H,4-5H2,1-3H3,(H,12,13,16).
What are the key properties of 3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 220.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 76848795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).