N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C15H24N4S — CID 104999726

IUPACN-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C(C)C)c1sccc1CC
InChIInChI=1S/C15H24N4S/c1-5-12-7-8-20-15(12)13(16-6-2)9-14-17-10-18-19(14)11(3)4/h7-8,10-11,13,16H,5-6,9H2,1-4H3
InChIKeyYEMHETQSLIBBLG-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.38
Rot. Bonds7

About N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104999726) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104999726
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C(C)C)c1sccc1CC
InChIInChI=1S/C15H24N4S/c1-5-12-7-8-20-15(12)13(16-6-2)9-14-17-10-18-19(14)11(3)4/h7-8,10-11,13,16H,5-6,9H2,1-4H3
InChIKeyYEMHETQSLIBBLG-UHFFFAOYSA-N
XLogP3.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003199
1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999475
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
N-ethyl-1-(4-methoxythiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999790
N-ethyl-1-(2-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999681
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 105000455
N-ethyl-1-(3-methoxythiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997997
N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 103374498
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 105160496
1-(3-chlorothiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999739
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 114887203
1-(3-bromothiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 113298221

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 104999726) is N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is CCNC(Cc1ncnn1C(C)C)c1sccc1CC.
What is the InChIKey of N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is YEMHETQSLIBBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-5-12-7-8-20-15(12)13(16-6-2)9-14-17-10-18-19(14)11(3)4/h7-8,10-11,13,16H,5-6,9H2,1-4H3.
What are the key properties of N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 292.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104999726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).