4-hexyltriazine

C9H15N3 — CID 141430652

IUPAC4-hexyltriazine
SMILESCCCCCCc1ccnnn1
InChIInChI=1S/C9H15N3/c1-2-3-4-5-6-9-7-8-10-12-11-9/h7-8H,2-6H2,1H3
InChIKeyGLGKIFFBFCYOGR-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.99
Rot. Bonds5

About 4-hexyltriazine

4-hexyltriazine (PubChem CID 141430652) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-hexyltriazine.

Molecular Properties

Compound Name4-hexyltriazine
PubChem CID141430652
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-hexyltriazine
SMILESCCCCCCc1ccnnn1
InChIInChI=1S/C9H15N3/c1-2-3-4-5-6-9-7-8-10-12-11-9/h7-8H,2-6H2,1H3
InChIKeyGLGKIFFBFCYOGR-UHFFFAOYSA-N
XLogP1.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.99
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-hexyltriazine?
The IUPAC name of 4-hexyltriazine (CID 141430652) is 4-hexyltriazine.
What is the SMILES notation for 4-hexyltriazine?
The canonical SMILES for 4-hexyltriazine is CCCCCCc1ccnnn1.
What is the InChIKey of 4-hexyltriazine?
The InChIKey is GLGKIFFBFCYOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-3-4-5-6-9-7-8-10-12-11-9/h7-8H,2-6H2,1H3.
What are the key properties of 4-hexyltriazine?
4-hexyltriazine has a molecular weight of 165.24 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyltriazine is sourced from PubChem (CID 141430652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).