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

C10H19N3 — CID 63811004

IUPAC1-(2-ethylhexyl)-1,2,4-triazole
SMILESCCCCC(CC)Cn1cncn1
InChIInChI=1S/C10H19N3/c1-3-5-6-10(4-2)7-13-9-11-8-12-13/h8-10H,3-7H2,1-2H3
InChIKeyITAQIFWHZPDFBD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.49
Rot. Bonds6

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

1-(2-ethylhexyl)-1,2,4-triazole (PubChem CID 63811004) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-ethylhexyl)-1,2,4-triazole
PubChem CID63811004
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(2-ethylhexyl)-1,2,4-triazole
SMILESCCCCC(CC)Cn1cncn1
InChIInChI=1S/C10H19N3/c1-3-5-6-10(4-2)7-13-9-11-8-12-13/h8-10H,3-7H2,1-2H3
InChIKeyITAQIFWHZPDFBD-UHFFFAOYSA-N
XLogP2.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylheptyl)-1,2,4-triazole
CID 126695073
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-2-amine
CID 115726756
1-(2-ethylhexyl)-1,2,4-triazole-3-carbonitrile
CID 60779043
1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine
CID 62729711
1-[2-(4-phenoxyphenyl)hexyl]-1,2,4-triazole
CID 19775636
1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole
CID 57057005
1-[1-(2-ethylhexyl)pyrazol-4-yl]butan-2-amine
CID 62731697
N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine
CID 62730156
methyl 1-(2-ethylhexyl)-1,2,4-triazole-3-carboxylate
CID 78955709
4-(bromomethyl)-1-(2-ethylhexyl)triazole
CID 62399724
[3-(2-ethylhexyl)imidazol-4-yl]methanamine
CID 107818806
1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine
CID 106227573

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-1,2,4-triazole?
The IUPAC name of 1-(2-ethylhexyl)-1,2,4-triazole (CID 63811004) is 1-(2-ethylhexyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-ethylhexyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-ethylhexyl)-1,2,4-triazole is CCCCC(CC)Cn1cncn1.
What is the InChIKey of 1-(2-ethylhexyl)-1,2,4-triazole?
The InChIKey is ITAQIFWHZPDFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-5-6-10(4-2)7-13-9-11-8-12-13/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(2-ethylhexyl)-1,2,4-triazole?
1-(2-ethylhexyl)-1,2,4-triazole has a molecular weight of 181.28 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-1,2,4-triazole is sourced from PubChem (CID 63811004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).