2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine

C8H10N4S — CID 61353997

IUPAC2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine
SMILESCc1nnc(-c2sccc2N)n1C
InChIInChI=1S/C8H10N4S/c1-5-10-11-8(12(5)2)7-6(9)3-4-13-7/h3-4H,9H2,1-2H3
InChIKeyYVDSOXJCFPHREA-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.43
Rot. Bonds1

About 2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine

2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine (PubChem CID 61353997) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine
PubChem CID61353997
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine
SMILESCc1nnc(-c2sccc2N)n1C
InChIInChI=1S/C8H10N4S/c1-5-10-11-8(12(5)2)7-6(9)3-4-13-7/h3-4H,9H2,1-2H3
InChIKeyYVDSOXJCFPHREA-UHFFFAOYSA-N
XLogP1.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine (CID 61353997) is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine is Cc1nnc(-c2sccc2N)n1C.
What is the InChIKey of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The InChIKey is YVDSOXJCFPHREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-5-10-11-8(12(5)2)7-6(9)3-4-13-7/h3-4H,9H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine?
2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine has a molecular weight of 194.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)thiophen-3-amine is sourced from PubChem (CID 61353997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).