[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine

C8H9ClN4S — CID 62055547

IUPAC[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccc(Cl)s2)nn1
InChIInChI=1S/C8H9ClN4S/c9-8-2-1-7(14-8)5-13-4-6(3-10)11-12-13/h1-2,4H,3,5,10H2
InChIKeyULNJWCMYLJVHBT-UHFFFAOYSA-N
MW228.71 g/mol
LogP1.50
Rot. Bonds3

About [1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine

[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine (PubChem CID 62055547) has the molecular formula C8H9ClN4S and a molecular weight of 228.71 g/mol. Its IUPAC name is [1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine
PubChem CID62055547
Molecular FormulaC8H9ClN4S
Molecular Weight228.71 g/mol
Exact Mass228.02
IUPAC Name[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccc(Cl)s2)nn1
InChIInChI=1S/C8H9ClN4S/c9-8-2-1-7(14-8)5-13-4-6(3-10)11-12-13/h1-2,4H,3,5,10H2
InChIKeyULNJWCMYLJVHBT-UHFFFAOYSA-N
XLogP1.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.71
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435004
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-methylpyrazin-2-yl)ethanamine
CID 126812577
2-(5-Chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 61631281
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 62565641
4-(3-chlorothiophen-2-yl)-1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]triazole
CID 167775047
{1-[(5-chlorothiophen-2-yl)methyl]-1H-1,2,3-triazol-4-yl}methanol
CID 62401464
4-[1-[(5-Chlorothiophen-2-yl)methyl]triazol-4-yl]butan-1-ol
CID 101506090
4-(Methylsulfanylmethyl)-1-(1-thiophen-2-ylethyl)triazole
CID 68514341
4-(Methylsulfanylmethyl)-1-(thiophen-2-ylmethyl)triazole
CID 68518939
4-Butyl-1-(thiophen-2-ylmethyl)triazole
CID 174712957
1-[(5-Chlorothiophen-2-YL)methyl]-1H-pyrazol-4-amine
CID 28374025
N-{[1-({1-[(5-chloro-2-thienyl)methyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methyl}urea
CID 28956509

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine (CID 62055547) is [1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine is NCc1cn(Cc2ccc(Cl)s2)nn1.
What is the InChIKey of [1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is ULNJWCMYLJVHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4S/c9-8-2-1-7(14-8)5-13-4-6(3-10)11-12-13/h1-2,4H,3,5,10H2.
What are the key properties of [1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine?
[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 228.71 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62055547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).