N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine

C11H16N4S — CID 114687490

IUPACN-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cnnn1C
InChIInChI=1S/C11H16N4S/c1-3-12-10(7-9-5-4-6-16-9)11-8-13-14-15(11)2/h4-6,8,10,12H,3,7H2,1-2H3
InChIKeyOUQQUVQUQRTTBG-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.77
Rot. Bonds5

About N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine

N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine (PubChem CID 114687490) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine
PubChem CID114687490
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cnnn1C
InChIInChI=1S/C11H16N4S/c1-3-12-10(7-9-5-4-6-16-9)11-8-13-14-15(11)2/h4-6,8,10,12H,3,7H2,1-2H3
InChIKeyOUQQUVQUQRTTBG-UHFFFAOYSA-N
XLogP1.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114687494
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 114649449
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
[1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine
CID 105337635
N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
CID 62501356
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine
CID 62502018
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine
CID 55156959
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
1-(5-chlorofuran-2-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 106687804
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 81453728
N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine
CID 63988342

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine (CID 114687490) is N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)c1cnnn1C.
What is the InChIKey of N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine?
The InChIKey is OUQQUVQUQRTTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-12-10(7-9-5-4-6-16-9)11-8-13-14-15(11)2/h4-6,8,10,12H,3,7H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine?
N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine has a molecular weight of 236.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 114687490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).