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

C6H4Cl2N4S — CID 107960252

IUPAC5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C6H4Cl2N4S/c7-3-1-2(4(8)13-3)5-10-6(9)12-11-5/h1H,(H3,9,10,11,12)
InChIKeyREQPVDNFPAOJPZ-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.42
Rot. Bonds1

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

5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 107960252) has the molecular formula C6H4Cl2N4S and a molecular weight of 235.10 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID107960252
Molecular FormulaC6H4Cl2N4S
Molecular Weight235.10 g/mol
Exact Mass233.95
IUPAC Name5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C6H4Cl2N4S/c7-3-1-2(4(8)13-3)5-10-6(9)12-11-5/h1H,(H3,9,10,11,12)
InChIKeyREQPVDNFPAOJPZ-UHFFFAOYSA-N
XLogP2.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 107960280
4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-amine
CID 959110
5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 107987260
5-(2,5-dichlorothiophen-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 107963246
5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 107962721
4-(3-amino-1H-1,2,4-triazol-5-yl)pyridine-2,6-diamine
CID 12889444
5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine
CID 131082483
5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine
CID 63021563
5-(2-amino-5-methylphenyl)-1H-1,2,4-triazol-3-amine
CID 61319772
2-(3-amino-1H-1,2,4-triazol-5-yl)phenol
CID 135649820
5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine
CID 61319979
5,6-dichloro-2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine
CID 114021455

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine (CID 107960252) is 5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2cc(Cl)sc2Cl)n1.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is REQPVDNFPAOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N4S/c7-3-1-2(4(8)13-3)5-10-6(9)12-11-5/h1H,(H3,9,10,11,12).
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine?
5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 235.10 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 107960252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).