2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine

C11H22N4 — CID 141344205

IUPAC2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)CNCc1ncn[nH]1
InChIInChI=1S/C11H22N4/c1-3-5-6-10(4-2)7-12-8-11-13-9-14-15-11/h9-10,12H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyFYWAUYHDZZGIMS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.11
Rot. Bonds8

About 2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine

2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine (PubChem CID 141344205) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine
PubChem CID141344205
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)CNCc1ncn[nH]1
InChIInChI=1S/C11H22N4/c1-3-5-6-10(4-2)7-12-8-11-13-9-14-15-11/h9-10,12H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyFYWAUYHDZZGIMS-UHFFFAOYSA-N
XLogP2.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Ethylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 580553
4-(4H-1,2,4-triazol-3-yl)piperidine
CID 56737789
3-(4H-1,2,4-triazol-3-yl)piperidine
CID 57004215
2-methyl-1-(4H-1,2,4-triazol-3-yl)propan-1-amine
CID 53964183
4,4-dimethyl-1-(4H-1,2,4-triazol-3-yl)pentan-1-amine dihydrochloride
CID 119032830
rac-(1r,4r)-4-(1H-1,2,4-triazol-3-yl)cyclohexan-1-amine hydrochloride
CID 138991550
1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75483889
5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine
CID 125437424
1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 164629936
(1r,4r)-4-(1h-1,2,4-Triazol-3-yl)cyclohexan-1-amine
CID 61361214
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753676
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753875

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine (CID 141344205) is 2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine is CCCCC(CC)CNCc1ncn[nH]1.
What is the InChIKey of 2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine?
The InChIKey is FYWAUYHDZZGIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-5-6-10(4-2)7-12-8-11-13-9-14-15-11/h9-10,12H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine?
2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexan-1-amine is sourced from PubChem (CID 141344205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).