13-pyrazin-2-yltridecan-1-ol

C17H30N2O — CID 11437411

IUPAC13-pyrazin-2-yltridecan-1-ol
SMILESOCCCCCCCCCCCCCc1cnccn1
InChIInChI=1S/C17H30N2O/c20-15-11-9-7-5-3-1-2-4-6-8-10-12-17-16-18-13-14-19-17/h13-14,16,20H,1-12,15H2
InChIKeyJCIMYVBQOCJBFC-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.30
Rot. Bonds13

About 13-pyrazin-2-yltridecan-1-ol

13-pyrazin-2-yltridecan-1-ol (PubChem CID 11437411) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 13-pyrazin-2-yltridecan-1-ol.

Molecular Properties

Compound Name13-pyrazin-2-yltridecan-1-ol
PubChem CID11437411
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name13-pyrazin-2-yltridecan-1-ol
SMILESOCCCCCCCCCCCCCc1cnccn1
InChIInChI=1S/C17H30N2O/c20-15-11-9-7-5-3-1-2-4-6-8-10-12-17-16-18-13-14-19-17/h13-14,16,20H,1-12,15H2
InChIKeyJCIMYVBQOCJBFC-UHFFFAOYSA-N
XLogP4.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 13-pyrazin-2-yltridecan-1-ol?
The IUPAC name of 13-pyrazin-2-yltridecan-1-ol (CID 11437411) is 13-pyrazin-2-yltridecan-1-ol.
What is the SMILES notation for 13-pyrazin-2-yltridecan-1-ol?
The canonical SMILES for 13-pyrazin-2-yltridecan-1-ol is OCCCCCCCCCCCCCc1cnccn1.
What is the InChIKey of 13-pyrazin-2-yltridecan-1-ol?
The InChIKey is JCIMYVBQOCJBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c20-15-11-9-7-5-3-1-2-4-6-8-10-12-17-16-18-13-14-19-17/h13-14,16,20H,1-12,15H2.
What are the key properties of 13-pyrazin-2-yltridecan-1-ol?
13-pyrazin-2-yltridecan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.30, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-pyrazin-2-yltridecan-1-ol is sourced from PubChem (CID 11437411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).