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

C11H16N4O — CID 70010817

IUPAC5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCCCn1cnc2[nH]ncc2c1=O
InChIInChI=1S/C11H16N4O/c1-2-3-4-5-6-15-8-12-10-9(11(15)16)7-13-14-10/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyLJKQHLFRQBUNOK-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.70
Rot. Bonds5

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

5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 70010817) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID70010817
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCCCn1cnc2[nH]ncc2c1=O
InChIInChI=1S/C11H16N4O/c1-2-3-4-5-6-15-8-12-10-9(11(15)16)7-13-14-10/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyLJKQHLFRQBUNOK-UHFFFAOYSA-N
XLogP1.70
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.70
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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Related Compounds

6-methyl-3-pentyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429627
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
6-chloro-3-hexyl-5-methoxypyrimidin-4-one
CID 114585335
5-amino-6-chloro-3-dodecylpyrimidin-4-one
CID 114582630
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
1-decyl-4,5-dimethylimidazole
CID 116621792
6-nitro-3-pentadecylquinazolin-4-one
CID 86008339
3-hexylthieno[3,2-d]pyrimidin-4-one
CID 115582354
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352
6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429610
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
4,5-diethyl-1-hexylimidazole
CID 175316393

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one (CID 70010817) is 5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one is CCCCCCn1cnc2[nH]ncc2c1=O.
What is the InChIKey of 5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LJKQHLFRQBUNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-3-4-5-6-15-8-12-10-9(11(15)16)7-13-14-10/h7-8H,2-6H2,1H3,(H,13,14).
What are the key properties of 5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one?
5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 220.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 70010817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).