2-hexoxypyrazolo[1,5-a]pyrimidine

C12H17N3O — CID 69331124

IUPAC2-hexoxypyrazolo[1,5-a]pyrimidine
SMILESCCCCCCOc1cc2ncccn2n1
InChIInChI=1S/C12H17N3O/c1-2-3-4-5-9-16-12-10-11-13-7-6-8-15(11)14-12/h6-8,10H,2-5,9H2,1H3
InChIKeyQOHSSCDJHGRCPA-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.69
Rot. Bonds6

About 2-hexoxypyrazolo[1,5-a]pyrimidine

2-hexoxypyrazolo[1,5-a]pyrimidine (PubChem CID 69331124) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-hexoxypyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-hexoxypyrazolo[1,5-a]pyrimidine
PubChem CID69331124
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-hexoxypyrazolo[1,5-a]pyrimidine
SMILESCCCCCCOc1cc2ncccn2n1
InChIInChI=1S/C12H17N3O/c1-2-3-4-5-9-16-12-10-11-13-7-6-8-15(11)14-12/h6-8,10H,2-5,9H2,1H3
InChIKeyQOHSSCDJHGRCPA-UHFFFAOYSA-N
XLogP2.69
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
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 2-hexoxypyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-hexoxypyrazolo[1,5-a]pyrimidine (CID 69331124) is 2-hexoxypyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-hexoxypyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-hexoxypyrazolo[1,5-a]pyrimidine is CCCCCCOc1cc2ncccn2n1.
What is the InChIKey of 2-hexoxypyrazolo[1,5-a]pyrimidine?
The InChIKey is QOHSSCDJHGRCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-3-4-5-9-16-12-10-11-13-7-6-8-15(11)14-12/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 2-hexoxypyrazolo[1,5-a]pyrimidine?
2-hexoxypyrazolo[1,5-a]pyrimidine has a molecular weight of 219.29 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxypyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 69331124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).