8-(1,3,5-triazin-2-yl)octanenitrile

C11H16N4 — CID 121433898

IUPAC8-(1,3,5-triazin-2-yl)octanenitrile
SMILESN#CCCCCCCCc1ncncn1
InChIInChI=1S/C11H16N4/c12-8-6-4-2-1-3-5-7-11-14-9-13-10-15-11/h9-10H,1-7H2
InChIKeyJEHUDXVMBWZIIP-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.28
Rot. Bonds7

About 8-(1,3,5-triazin-2-yl)octanenitrile

8-(1,3,5-triazin-2-yl)octanenitrile (PubChem CID 121433898) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 8-(1,3,5-triazin-2-yl)octanenitrile.

Molecular Properties

Compound Name8-(1,3,5-triazin-2-yl)octanenitrile
PubChem CID121433898
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name8-(1,3,5-triazin-2-yl)octanenitrile
SMILESN#CCCCCCCCc1ncncn1
InChIInChI=1S/C11H16N4/c12-8-6-4-2-1-3-5-7-11-14-9-13-10-15-11/h9-10H,1-7H2
InChIKeyJEHUDXVMBWZIIP-UHFFFAOYSA-N
XLogP2.28
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.28
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 8-(1,3,5-triazin-2-yl)octanenitrile?
The IUPAC name of 8-(1,3,5-triazin-2-yl)octanenitrile (CID 121433898) is 8-(1,3,5-triazin-2-yl)octanenitrile.
What is the SMILES notation for 8-(1,3,5-triazin-2-yl)octanenitrile?
The canonical SMILES for 8-(1,3,5-triazin-2-yl)octanenitrile is N#CCCCCCCCc1ncncn1.
What is the InChIKey of 8-(1,3,5-triazin-2-yl)octanenitrile?
The InChIKey is JEHUDXVMBWZIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c12-8-6-4-2-1-3-5-7-11-14-9-13-10-15-11/h9-10H,1-7H2.
What are the key properties of 8-(1,3,5-triazin-2-yl)octanenitrile?
8-(1,3,5-triazin-2-yl)octanenitrile has a molecular weight of 204.28 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3,5-triazin-2-yl)octanenitrile is sourced from PubChem (CID 121433898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).