1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C14H22N4O — CID 136649491

IUPAC1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCCCCCCn1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C14H22N4O/c1-2-3-4-5-6-7-8-9-18-13-12(10-17-18)14(19)16-11-15-13/h10-11H,2-9H2,1H3,(H,15,16,19)
InChIKeyXQMJUUIKSABWEB-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.87
Rot. Bonds8

About 1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136649491) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136649491
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCCCCCCn1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C14H22N4O/c1-2-3-4-5-6-7-8-9-18-13-12(10-17-18)14(19)16-11-15-13/h10-11H,2-9H2,1H3,(H,15,16,19)
InChIKeyXQMJUUIKSABWEB-UHFFFAOYSA-N
XLogP2.87
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136649491) is 1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCCCCCCCn1ncc2c(=O)[nH]cnc21.
What is the InChIKey of 1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XQMJUUIKSABWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-3-4-5-6-7-8-9-18-13-12(10-17-18)14(19)16-11-15-13/h10-11H,2-9H2,1H3,(H,15,16,19).
What are the key properties of 1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 262.36 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136649491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).