5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine

C7H6Cl2N4S — CID 107960268

IUPAC5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2cc(Cl)sc2Cl)nc1N
InChIInChI=1S/C7H6Cl2N4S/c1-13-7(10)11-6(12-13)3-2-4(8)14-5(3)9/h2H,1H3,(H2,10,11,12)
InChIKeyIVANJPJRCWVMAM-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.43
Rot. Bonds1

About 5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine

5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 107960268) has the molecular formula C7H6Cl2N4S and a molecular weight of 249.13 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID107960268
Molecular FormulaC7H6Cl2N4S
Molecular Weight249.13 g/mol
Exact Mass247.97
IUPAC Name5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2cc(Cl)sc2Cl)nc1N
InChIInChI=1S/C7H6Cl2N4S/c1-13-7(10)11-6(12-13)3-2-4(8)14-5(3)9/h2H,1H3,(H2,10,11,12)
InChIKeyIVANJPJRCWVMAM-UHFFFAOYSA-N
XLogP2.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine (CID 107960268) is 5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine is Cn1nc(-c2cc(Cl)sc2Cl)nc1N.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is IVANJPJRCWVMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N4S/c1-13-7(10)11-6(12-13)3-2-4(8)14-5(3)9/h2H,1H3,(H2,10,11,12).
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine?
5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 249.13 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 107960268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).