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

C8H10N4S — CID 131082483

IUPAC5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1scc(-c2nc(N)n[nH]2)c1C
InChIInChI=1S/C8H10N4S/c1-4-5(2)13-3-6(4)7-10-8(9)12-11-7/h3H,1-2H3,(H3,9,10,11,12)
InChIKeyRRLZUHGBBRPKCN-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.73
Rot. Bonds1

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

5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 131082483) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID131082483
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1scc(-c2nc(N)n[nH]2)c1C
InChIInChI=1S/C8H10N4S/c1-4-5(2)13-3-6(4)7-10-8(9)12-11-7/h3H,1-2H3,(H3,9,10,11,12)
InChIKeyRRLZUHGBBRPKCN-UHFFFAOYSA-N
XLogP1.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine (CID 131082483) is 5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine is Cc1scc(-c2nc(N)n[nH]2)c1C.
What is the InChIKey of 5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is RRLZUHGBBRPKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-4-5(2)13-3-6(4)7-10-8(9)12-11-7/h3H,1-2H3,(H3,9,10,11,12).
What are the key properties of 5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine?
5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 194.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethylthiophen-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 131082483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).