1-(2-hexyldecyl)-1,2,4-triazole

C18H35N3 — CID 19788762

IUPAC1-(2-hexyldecyl)-1,2,4-triazole
SMILESCCCCCCCCC(CCCCCC)Cn1cncn1
InChIInChI=1S/C18H35N3/c1-3-5-7-9-10-12-14-18(13-11-8-6-4-2)15-21-17-19-16-20-21/h16-18H,3-15H2,1-2H3
InChIKeyQVWYEQWOONLVNL-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.62
Rot. Bonds14

About 1-(2-hexyldecyl)-1,2,4-triazole

1-(2-hexyldecyl)-1,2,4-triazole (PubChem CID 19788762) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(2-hexyldecyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-hexyldecyl)-1,2,4-triazole
PubChem CID19788762
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-(2-hexyldecyl)-1,2,4-triazole
SMILESCCCCCCCCC(CCCCCC)Cn1cncn1
InChIInChI=1S/C18H35N3/c1-3-5-7-9-10-12-14-18(13-11-8-6-4-2)15-21-17-19-16-20-21/h16-18H,3-15H2,1-2H3
InChIKeyQVWYEQWOONLVNL-UHFFFAOYSA-N
XLogP5.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.62
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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Related Compounds

N,N-Bis(2-ethylhexyl)-1,2,4-triazol-1-ylmethanamine
CID 163595
1-Dodecyl-1H-1,2,4-triazole
CID 13020081
1-Octyl-1,2,4-triazole
CID 4420134
1-Decyl-1,2,4-triazole
CID 21573148
1-Octadecyl-1H-1,2,4-triazole
CID 23344158
4-Octadecyl-1,2,4-triazole
CID 23459276
1-(2-Fluoroethyl)-3-tridecan-7-yl-1,2,4-triazole
CID 126500103
5-Fluoro-1-(5-methyldodecan-5-yl)-1,2,4-triazole
CID 146378046
1-[5-Methyl-3-(trifluoromethyl)hexyl]-1,2,4-triazole
CID 168111320
4-Hexadecyl-4H-1,2,4-triazole
CID 15639322
4-(5-Decylheptadecyl)-4h-1,2,4-triazole
CID 101951429
1-Hexadecyl-1,2,4-triazole
CID 4118666

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexyldecyl)-1,2,4-triazole?
The IUPAC name of 1-(2-hexyldecyl)-1,2,4-triazole (CID 19788762) is 1-(2-hexyldecyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-hexyldecyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-hexyldecyl)-1,2,4-triazole is CCCCCCCCC(CCCCCC)Cn1cncn1.
What is the InChIKey of 1-(2-hexyldecyl)-1,2,4-triazole?
The InChIKey is QVWYEQWOONLVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-3-5-7-9-10-12-14-18(13-11-8-6-4-2)15-21-17-19-16-20-21/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-(2-hexyldecyl)-1,2,4-triazole?
1-(2-hexyldecyl)-1,2,4-triazole has a molecular weight of 293.50 g/mol, XLogP of 5.62, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexyldecyl)-1,2,4-triazole is sourced from PubChem (CID 19788762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).