2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine

C16H25N3 — CID 126727969

IUPAC2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine
SMILESCCCCCC1=CCC(C2=NC(C)N=C(C)N2)C=C1
InChIInChI=1S/C16H25N3/c1-4-5-6-7-14-8-10-15(11-9-14)16-18-12(2)17-13(3)19-16/h8-10,12,15H,4-7,11H2,1-3H3,(H,17,18,19)
InChIKeyLXFJFKUBMZLSMG-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.84
Rot. Bonds5

About 2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine

2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine (PubChem CID 126727969) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine
PubChem CID126727969
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine
SMILESCCCCCC1=CCC(C2=NC(C)N=C(C)N2)C=C1
InChIInChI=1S/C16H25N3/c1-4-5-6-7-14-8-10-15(11-9-14)16-18-12(2)17-13(3)19-16/h8-10,12,15H,4-7,11H2,1-3H3,(H,17,18,19)
InChIKeyLXFJFKUBMZLSMG-UHFFFAOYSA-N
XLogP3.84
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
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 2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine (CID 126727969) is 2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine is CCCCCC1=CCC(C2=NC(C)N=C(C)N2)C=C1.
What is the InChIKey of 2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is LXFJFKUBMZLSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-5-6-7-14-8-10-15(11-9-14)16-18-12(2)17-13(3)19-16/h8-10,12,15H,4-7,11H2,1-3H3,(H,17,18,19).
What are the key properties of 2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine?
2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 259.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 126727969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).