5,6-dipentyl-1,2,4-triazine

C13H23N3 — CID 68733390

IUPAC5,6-dipentyl-1,2,4-triazine
SMILESCCCCCc1ncnnc1CCCCC
InChIInChI=1S/C13H23N3/c1-3-5-7-9-12-13(10-8-6-4-2)16-15-11-14-12/h11H,3-10H2,1-2H3
InChIKeyZRIOUUOKMXPGQM-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.34
Rot. Bonds8

About 5,6-dipentyl-1,2,4-triazine

5,6-dipentyl-1,2,4-triazine (PubChem CID 68733390) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5,6-dipentyl-1,2,4-triazine.

Molecular Properties

Compound Name5,6-dipentyl-1,2,4-triazine
PubChem CID68733390
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5,6-dipentyl-1,2,4-triazine
SMILESCCCCCc1ncnnc1CCCCC
InChIInChI=1S/C13H23N3/c1-3-5-7-9-12-13(10-8-6-4-2)16-15-11-14-12/h11H,3-10H2,1-2H3
InChIKeyZRIOUUOKMXPGQM-UHFFFAOYSA-N
XLogP3.34
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.34
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 5,6-dipentyl-1,2,4-triazine?
The IUPAC name of 5,6-dipentyl-1,2,4-triazine (CID 68733390) is 5,6-dipentyl-1,2,4-triazine.
What is the SMILES notation for 5,6-dipentyl-1,2,4-triazine?
The canonical SMILES for 5,6-dipentyl-1,2,4-triazine is CCCCCc1ncnnc1CCCCC.
What is the InChIKey of 5,6-dipentyl-1,2,4-triazine?
The InChIKey is ZRIOUUOKMXPGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-5-7-9-12-13(10-8-6-4-2)16-15-11-14-12/h11H,3-10H2,1-2H3.
What are the key properties of 5,6-dipentyl-1,2,4-triazine?
5,6-dipentyl-1,2,4-triazine has a molecular weight of 221.35 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dipentyl-1,2,4-triazine is sourced from PubChem (CID 68733390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).