1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine

C7H7ClN4S — CID 165481331

IUPAC1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine
SMILESNc1cn(Cc2ccsc2Cl)nn1
InChIInChI=1S/C7H7ClN4S/c8-7-5(1-2-13-7)3-12-4-6(9)10-11-12/h1-2,4H,3,9H2
InChIKeyLFYBGRMZHGHMBB-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.62
Rot. Bonds2

About 1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine

1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine (PubChem CID 165481331) has the molecular formula C7H7ClN4S and a molecular weight of 214.68 g/mol. Its IUPAC name is 1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine
PubChem CID165481331
Molecular FormulaC7H7ClN4S
Molecular Weight214.68 g/mol
Exact Mass214.01
IUPAC Name1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine
SMILESNc1cn(Cc2ccsc2Cl)nn1
InChIInChI=1S/C7H7ClN4S/c8-7-5(1-2-13-7)3-12-4-6(9)10-11-12/h1-2,4H,3,9H2
InChIKeyLFYBGRMZHGHMBB-UHFFFAOYSA-N
XLogP1.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]triazol-4-amine
CID 79529269
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine
CID 165481336
1-[(4-bromothiophen-2-yl)methyl]triazol-4-amine
CID 79542195
1-(aminomethyl)triazol-4-amine
CID 22639545
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-amine
CID 115335312
1-[(5-chloro-1-methylpyrazol-3-yl)methyl]triazol-4-amine
CID 165481119
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine
CID 79530510
1-(3-fluoropropyl)triazol-4-amine
CID 81110158
1-[(2-methyl-3-nitrophenyl)methyl]triazol-4-amine
CID 79542688
1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine
CID 165473092
1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine
CID 79543265
1-benzyl-4-thiophen-2-yltriazole
CID 11715687

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine (CID 165481331) is 1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine is Nc1cn(Cc2ccsc2Cl)nn1.
What is the InChIKey of 1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine?
The InChIKey is LFYBGRMZHGHMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4S/c8-7-5(1-2-13-7)3-12-4-6(9)10-11-12/h1-2,4H,3,9H2.
What are the key properties of 1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine?
1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine has a molecular weight of 214.68 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 165481331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).