N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine

C12H24N4O — CID 116715785

IUPACN-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine
SMILESCCNC(Cc1ncnn1CC)C(CC)OC
InChIInChI=1S/C12H24N4O/c1-5-11(17-4)10(13-6-2)8-12-14-9-15-16(12)7-3/h9-11,13H,5-8H2,1-4H3
InChIKeyHFBXTQBYDTZHLZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.24
Rot. Bonds8

About N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine

N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine (PubChem CID 116715785) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine
PubChem CID116715785
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine
SMILESCCNC(Cc1ncnn1CC)C(CC)OC
InChIInChI=1S/C12H24N4O/c1-5-11(17-4)10(13-6-2)8-12-14-9-15-16(12)7-3/h9-11,13H,5-8H2,1-4H3
InChIKeyHFBXTQBYDTZHLZ-UHFFFAOYSA-N
XLogP1.24
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 116718086
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312096
N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
CID 116715779
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine
CID 116725841
N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715655
3-N-ethyl-4-(2-ethyl-1,2,4-triazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346632
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105161757
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002266
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 79780328
1-cyclohexyl-3-(2-ethyl-1,2,4-triazol-3-yl)-1-methoxy-N-methylpropan-2-amine
CID 116771535
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine?
The IUPAC name of N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine (CID 116715785) is N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine?
The canonical SMILES for N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine is CCNC(Cc1ncnn1CC)C(CC)OC.
What is the InChIKey of N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine?
The InChIKey is HFBXTQBYDTZHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-11(17-4)10(13-6-2)8-12-14-9-15-16(12)7-3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine?
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine is sourced from PubChem (CID 116715785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).