1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine

C9H12N4S — CID 114420053

IUPAC1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2ccsc2)nn1
InChIInChI=1S/C9H12N4S/c1-7(10)9-5-13(12-11-9)4-8-2-3-14-6-8/h2-3,5-7H,4,10H2,1H3
InChIKeyMPMWHQYKRPXFRI-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.41
Rot. Bonds3

About 1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine

1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine (PubChem CID 114420053) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine
PubChem CID114420053
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2ccsc2)nn1
InChIInChI=1S/C9H12N4S/c1-7(10)9-5-13(12-11-9)4-8-2-3-14-6-8/h2-3,5-7H,4,10H2,1H3
InChIKeyMPMWHQYKRPXFRI-UHFFFAOYSA-N
XLogP1.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
CID 114419757
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419923
1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine
CID 114419873
1-[1-[(4-nitrophenyl)methyl]triazol-4-yl]ethanamine
CID 114419595
1-[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]triazol-4-yl]ethanamine
CID 114419689
1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 114420088
1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine
CID 114419756
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine
CID 114419542
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408

Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine (CID 114420053) is 1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine is CC(N)c1cn(Cc2ccsc2)nn1.
What is the InChIKey of 1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine?
The InChIKey is MPMWHQYKRPXFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7(10)9-5-13(12-11-9)4-8-2-3-14-6-8/h2-3,5-7H,4,10H2,1H3.
What are the key properties of 1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine?
1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine has a molecular weight of 208.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 114420053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).