3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one

C9H10N4O — CID 148547846

IUPAC3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one
SMILESO=c1ncc2n[nH]c(C3CCC3)c2[nH]1
InChIInChI=1S/C9H10N4O/c14-9-10-4-6-8(11-9)7(13-12-6)5-2-1-3-5/h4-5H,1-3H2,(H,12,13)(H,10,11,14)
InChIKeyZTNMCPWPCSTNMQ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.91
Rot. Bonds1

About 3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one

3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one (PubChem CID 148547846) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one
PubChem CID148547846
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one
SMILESO=c1ncc2n[nH]c(C3CCC3)c2[nH]1
InChIInChI=1S/C9H10N4O/c14-9-10-4-6-8(11-9)7(13-12-6)5-2-1-3-5/h4-5H,1-3H2,(H,12,13)(H,10,11,14)
InChIKeyZTNMCPWPCSTNMQ-UHFFFAOYSA-N
XLogP0.91
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one?
The IUPAC name of 3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one (CID 148547846) is 3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one?
The canonical SMILES for 3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one is O=c1ncc2n[nH]c(C3CCC3)c2[nH]1.
What is the InChIKey of 3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one?
The InChIKey is ZTNMCPWPCSTNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c14-9-10-4-6-8(11-9)7(13-12-6)5-2-1-3-5/h4-5H,1-3H2,(H,12,13)(H,10,11,14).
What are the key properties of 3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one?
3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one has a molecular weight of 190.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 148547846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).