1-decyl-4-ethenyl-3-methyltriazol-1-ium

C15H28N3+ — CID 102131859

IUPAC1-decyl-4-ethenyl-3-methyltriazol-1-ium
SMILESC=Cc1c[n+](CCCCCCCCCC)nn1C
InChIInChI=1S/C15H28N3/c1-4-6-7-8-9-10-11-12-13-18-14-15(5-2)17(3)16-18/h5,14H,2,4,6-13H2,1,3H3/q+1
InChIKeyACTDDLDXILIFGG-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.49
Rot. Bonds10

About 1-decyl-4-ethenyl-3-methyltriazol-1-ium

1-decyl-4-ethenyl-3-methyltriazol-1-ium (PubChem CID 102131859) has the molecular formula C15H28N3+ and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-decyl-4-ethenyl-3-methyltriazol-1-ium.

Molecular Properties

Compound Name1-decyl-4-ethenyl-3-methyltriazol-1-ium
PubChem CID102131859
Molecular FormulaC15H28N3+
Molecular Weight250.41 g/mol
Exact Mass250.23
IUPAC Name1-decyl-4-ethenyl-3-methyltriazol-1-ium
SMILESC=Cc1c[n+](CCCCCCCCCC)nn1C
InChIInChI=1S/C15H28N3/c1-4-6-7-8-9-10-11-12-13-18-14-15(5-2)17(3)16-18/h5,14H,2,4,6-13H2,1,3H3/q+1
InChIKeyACTDDLDXILIFGG-UHFFFAOYSA-N
XLogP3.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-Methylbut-2-enyl)-4-octyltriazole
CID 145988988
4-Dodecyl-1-ethyltriazole
CID 177693236
3,5-Dipentyl triazole
CID 23269501
4-Pentyl-1-prop-2-enyltriazole
CID 66927678
1-Ethyl-4-pentyltriazole
CID 68686204
4-Pentyl-1-propyltriazole
CID 69281397
4-Butyl-1-octyltriazole
CID 102039662
1,4-Dihexyl-1,2,3-triazole
CID 102075505
4-Butyl-1-prop-2-enyltriazole
CID 123759823
1-Prop-2-enyl-4-propyltriazole
CID 134857990
1-Heptyl-4-pentyltriazole
CID 139241704
1-Hexyl-4-pentyltriazole
CID 139241971

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-ethenyl-3-methyltriazol-1-ium?
The IUPAC name of 1-decyl-4-ethenyl-3-methyltriazol-1-ium (CID 102131859) is 1-decyl-4-ethenyl-3-methyltriazol-1-ium.
What is the SMILES notation for 1-decyl-4-ethenyl-3-methyltriazol-1-ium?
The canonical SMILES for 1-decyl-4-ethenyl-3-methyltriazol-1-ium is C=Cc1c[n+](CCCCCCCCCC)nn1C.
What is the InChIKey of 1-decyl-4-ethenyl-3-methyltriazol-1-ium?
The InChIKey is ACTDDLDXILIFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N3/c1-4-6-7-8-9-10-11-12-13-18-14-15(5-2)17(3)16-18/h5,14H,2,4,6-13H2,1,3H3/q+1.
What are the key properties of 1-decyl-4-ethenyl-3-methyltriazol-1-ium?
1-decyl-4-ethenyl-3-methyltriazol-1-ium has a molecular weight of 250.41 g/mol, XLogP of 3.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-ethenyl-3-methyltriazol-1-ium is sourced from PubChem (CID 102131859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).