4-octyltriazine

C11H19N3 — CID 18629853

IUPAC4-octyltriazine
SMILESCCCCCCCCc1ccnnn1
InChIInChI=1S/C11H19N3/c1-2-3-4-5-6-7-8-11-9-10-12-14-13-11/h9-10H,2-8H2,1H3
InChIKeyRKOBSKSVLITWQQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.77
Rot. Bonds7

About 4-octyltriazine

4-octyltriazine (PubChem CID 18629853) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-octyltriazine.

Molecular Properties

Compound Name4-octyltriazine
PubChem CID18629853
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-octyltriazine
SMILESCCCCCCCCc1ccnnn1
InChIInChI=1S/C11H19N3/c1-2-3-4-5-6-7-8-11-9-10-12-14-13-11/h9-10H,2-8H2,1H3
InChIKeyRKOBSKSVLITWQQ-UHFFFAOYSA-N
XLogP2.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
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 4-octyltriazine?
The IUPAC name of 4-octyltriazine (CID 18629853) is 4-octyltriazine.
What is the SMILES notation for 4-octyltriazine?
The canonical SMILES for 4-octyltriazine is CCCCCCCCc1ccnnn1.
What is the InChIKey of 4-octyltriazine?
The InChIKey is RKOBSKSVLITWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-3-4-5-6-7-8-11-9-10-12-14-13-11/h9-10H,2-8H2,1H3.
What are the key properties of 4-octyltriazine?
4-octyltriazine has a molecular weight of 193.29 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyltriazine is sourced from PubChem (CID 18629853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).