6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine

C11H22N4 — CID 62722491

IUPAC6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
SMILESCCc1nc(CCCCCCN)n(C)n1
InChIInChI=1S/C11H22N4/c1-3-10-13-11(15(2)14-10)8-6-4-5-7-9-12/h3-9,12H2,1-2H3
InChIKeySYWVGEDPJGXRJK-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.44
Rot. Bonds7

About 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine

6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine (PubChem CID 62722491) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
PubChem CID62722491
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
SMILESCCc1nc(CCCCCCN)n(C)n1
InChIInChI=1S/C11H22N4/c1-3-10-13-11(15(2)14-10)8-6-4-5-7-9-12/h3-9,12H2,1-2H3
InChIKeySYWVGEDPJGXRJK-UHFFFAOYSA-N
XLogP1.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62694934
2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 82467863
6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62721244
4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine
CID 115825958
N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine
CID 62721404
3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 62720337
2-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62722847
2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 62722485
2-[2-methyl-5-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 82483725
2-[5-[(4-ethoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 98017072
3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine
CID 54102720
2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 98015664

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine?
The IUPAC name of 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine (CID 62722491) is 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine.
What is the SMILES notation for 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine?
The canonical SMILES for 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine is CCc1nc(CCCCCCN)n(C)n1.
What is the InChIKey of 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine?
The InChIKey is SYWVGEDPJGXRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-10-13-11(15(2)14-10)8-6-4-5-7-9-12/h3-9,12H2,1-2H3.
What are the key properties of 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine?
6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine is sourced from PubChem (CID 62722491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).