2-chloro-4,6-dipentyl-1H-triazine

C13H24ClN3 — CID 88546212

IUPAC2-chloro-4,6-dipentyl-1H-triazine
SMILESCCCCCC1=CC(CCCCC)=NN(Cl)N1
InChIInChI=1S/C13H24ClN3/c1-3-5-7-9-12-11-13(10-8-6-4-2)16-17(14)15-12/h11,15H,3-10H2,1-2H3
InChIKeyXKMYNVQARICWHU-UHFFFAOYSA-N
MW257.81 g/mol
LogP4.36
Rot. Bonds8

About 2-chloro-4,6-dipentyl-1H-triazine

2-chloro-4,6-dipentyl-1H-triazine (PubChem CID 88546212) has the molecular formula C13H24ClN3 and a molecular weight of 257.81 g/mol. Its IUPAC name is 2-chloro-4,6-dipentyl-1H-triazine.

Molecular Properties

Compound Name2-chloro-4,6-dipentyl-1H-triazine
PubChem CID88546212
Molecular FormulaC13H24ClN3
Molecular Weight257.81 g/mol
Exact Mass257.17
IUPAC Name2-chloro-4,6-dipentyl-1H-triazine
SMILESCCCCCC1=CC(CCCCC)=NN(Cl)N1
InChIInChI=1S/C13H24ClN3/c1-3-5-7-9-12-11-13(10-8-6-4-2)16-17(14)15-12/h11,15H,3-10H2,1-2H3
InChIKeyXKMYNVQARICWHU-UHFFFAOYSA-N
XLogP4.36
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dipentyl-1H-triazine?
The IUPAC name of 2-chloro-4,6-dipentyl-1H-triazine (CID 88546212) is 2-chloro-4,6-dipentyl-1H-triazine.
What is the SMILES notation for 2-chloro-4,6-dipentyl-1H-triazine?
The canonical SMILES for 2-chloro-4,6-dipentyl-1H-triazine is CCCCCC1=CC(CCCCC)=NN(Cl)N1.
What is the InChIKey of 2-chloro-4,6-dipentyl-1H-triazine?
The InChIKey is XKMYNVQARICWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3/c1-3-5-7-9-12-11-13(10-8-6-4-2)16-17(14)15-12/h11,15H,3-10H2,1-2H3.
What are the key properties of 2-chloro-4,6-dipentyl-1H-triazine?
2-chloro-4,6-dipentyl-1H-triazine has a molecular weight of 257.81 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dipentyl-1H-triazine is sourced from PubChem (CID 88546212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).