[3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine

C7H7ClN4S — CID 83640128

IUPAC[3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine
SMILESNCc1cnnn1-c1ccc(Cl)s1
InChIInChI=1S/C7H7ClN4S/c8-6-1-2-7(13-6)12-5(3-9)4-10-11-12/h1-2,4H,3,9H2
InChIKeyNZQARTJIXXUZLE-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.44
Rot. Bonds2

About [3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine

[3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine (PubChem CID 83640128) has the molecular formula C7H7ClN4S and a molecular weight of 214.68 g/mol. Its IUPAC name is [3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine
PubChem CID83640128
Molecular FormulaC7H7ClN4S
Molecular Weight214.68 g/mol
Exact Mass214.01
IUPAC Name[3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine
SMILESNCc1cnnn1-c1ccc(Cl)s1
InChIInChI=1S/C7H7ClN4S/c8-6-1-2-7(13-6)12-5(3-9)4-10-11-12/h1-2,4H,3,9H2
InChIKeyNZQARTJIXXUZLE-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Chlorothiophen-2-yl)triazole
CID 123441468
1-(5-Chlorothiophen-2-yl)-5-methylpyrazole
CID 123545274
(1-Thiophen-2-yltriazol-4-yl)methanamine
CID 83636169
(3-Thiophen-2-yltriazol-4-yl)methanamine
CID 83636170
2-(1-Thiophen-2-yltriazol-4-yl)ethanamine
CID 83637304
[3-(5-Bromothiophen-2-yl)triazol-4-yl]methanamine
CID 83657515
[3-(4-Bromothiophen-2-yl)triazol-4-yl]methanamine
CID 83657516
(1-(thiophen-2-yl)-1H-1,2,3-triazol-4-yl)methanamine dihydrochloride
CID 122243100

Frequently Asked Questions

What is the IUPAC name of [3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine (CID 83640128) is [3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine is NCc1cnnn1-c1ccc(Cl)s1.
What is the InChIKey of [3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine?
The InChIKey is NZQARTJIXXUZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4S/c8-6-1-2-7(13-6)12-5(3-9)4-10-11-12/h1-2,4H,3,9H2.
What are the key properties of [3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine?
[3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine has a molecular weight of 214.68 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chlorothiophen-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 83640128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).