1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine

C8H10N4S — CID 170165296

IUPAC1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine
SMILESCC(N)c1cc(-c2ncn[nH]2)cs1
InChIInChI=1S/C8H10N4S/c1-5(9)7-2-6(3-13-7)8-10-4-11-12-8/h2-5H,9H2,1H3,(H,10,11,12)
InChIKeyWQHMXQQPLAMHEI-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.55
Rot. Bonds2

About 1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine

1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine (PubChem CID 170165296) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine
PubChem CID170165296
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine
SMILESCC(N)c1cc(-c2ncn[nH]2)cs1
InChIInChI=1S/C8H10N4S/c1-5(9)7-2-6(3-13-7)8-10-4-11-12-8/h2-5H,9H2,1H3,(H,10,11,12)
InChIKeyWQHMXQQPLAMHEI-UHFFFAOYSA-N
XLogP1.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylbenzyl)-3-(thiophen-2-yl)-1H-1,2,4-triazol-5-amine
CID 16478171
1-[5-(thiophen-2-yl)-1H-1,2,4-triazol-3-yl]ethan-1-amine hydrochloride
CID 137971719
1-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]methanamine
CID 132412084
N-(4-fluorobenzyl)-3-(thiophen-2-yl)-1H-1,2,4-triazol-5-amine
CID 16478234
5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole
CID 164955289
1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 170165295
(1R)-1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 170165297
4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine
CID 175942157
1-[3-(thiophen-2-yl)-1H-1,2,4-triazol-5-yl]ethan-1-amine
CID 62734153
(4-Fluorophenyl)(5-(thiophen-2-yl)-1H-1,2,4-triazol-3-yl)methanamine
CID 84221307
(R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 97287118
(S)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 97287119

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine?
The IUPAC name of 1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine (CID 170165296) is 1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine?
The canonical SMILES for 1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine is CC(N)c1cc(-c2ncn[nH]2)cs1.
What is the InChIKey of 1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine?
The InChIKey is WQHMXQQPLAMHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-5(9)7-2-6(3-13-7)8-10-4-11-12-8/h2-5H,9H2,1H3,(H,10,11,12).
What are the key properties of 1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine?
1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine has a molecular weight of 194.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 170165296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).