1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C9H11ClN4S — CID 104997878

IUPAC1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1ncnc1CC(N)c1sccc1Cl
InChIInChI=1S/C9H11ClN4S/c1-14-8(12-5-13-14)4-7(11)9-6(10)2-3-15-9/h2-3,5,7H,4,11H2,1H3
InChIKeyNIABORSCOALBHB-UHFFFAOYSA-N
MW242.74 g/mol
LogP1.77
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104997878) has the molecular formula C9H11ClN4S and a molecular weight of 242.74 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104997878
Molecular FormulaC9H11ClN4S
Molecular Weight242.74 g/mol
Exact Mass242.04
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1ncnc1CC(N)c1sccc1Cl
InChIInChI=1S/C9H11ClN4S/c1-14-8(12-5-13-14)4-7(11)9-6(10)2-3-15-9/h2-3,5,7H,4,11H2,1H3
InChIKeyNIABORSCOALBHB-UHFFFAOYSA-N
XLogP1.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.74
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999739
1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997533
1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159465
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025612
1-(3-chlorothiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019424
1-(5-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997957
2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105159397
1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999475
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 104994609
1-(2-chloro-3-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997772
1-(3-bromothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002274

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 104997878) is 1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is Cn1ncnc1CC(N)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is NIABORSCOALBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4S/c1-14-8(12-5-13-14)4-7(11)9-6(10)2-3-15-9/h2-3,5,7H,4,11H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 242.74 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104997878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).