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

C10H14N4S — CID 66192351

IUPACN-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccsc2)nn1
InChIInChI=1S/C10H14N4S/c1-2-11-5-10-7-14(13-12-10)6-9-3-4-15-8-9/h3-4,7-8,11H,2,5-6H2,1H3
InChIKeyNDXWUGSILIIART-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.50
Rot. Bonds5

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

N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine (PubChem CID 66192351) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine
PubChem CID66192351
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccsc2)nn1
InChIInChI=1S/C10H14N4S/c1-2-11-5-10-7-14(13-12-10)6-9-3-4-15-8-9/h3-4,7-8,11H,2,5-6H2,1H3
InChIKeyNDXWUGSILIIART-UHFFFAOYSA-N
XLogP1.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]-1-(3-thienylmethyl)piperidine bis(trifluoroacetate)
CID 29029926
1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 115742598
N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 70964432
1-[4-[(1S)-2-methyl-1-(thiophen-3-ylmethylamino)propyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 89643171
(1-Thiophen-3-yltriazol-4-yl)methanamine
CID 119106442
propane;N'-[(Z)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]but-2-en-2-yl]ethanimidamide
CID 144021757
N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626483
N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626496
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626522
N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626587

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine (CID 66192351) is N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2ccsc2)nn1.
What is the InChIKey of N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is NDXWUGSILIIART-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-2-11-5-10-7-14(13-12-10)6-9-3-4-15-8-9/h3-4,7-8,11H,2,5-6H2,1H3.
What are the key properties of N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine?
N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 222.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66192351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).