3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine

C11H7F3N6S2 — CID 133420658

IUPAC3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine
SMILESNn1c(Sc2ccc(C(F)(F)F)nn2)nnc1-c1cccs1
InChIInChI=1S/C11H7F3N6S2/c12-11(13,14)7-3-4-8(17-16-7)22-10-19-18-9(20(10)15)6-2-1-5-21-6/h1-5H,15H2
InChIKeyXVPLECNADRXCGK-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.68
Rot. Bonds3

About 3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine

3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine (PubChem CID 133420658) has the molecular formula C11H7F3N6S2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine
PubChem CID133420658
Molecular FormulaC11H7F3N6S2
Molecular Weight344.35 g/mol
Exact Mass344.01
IUPAC Name3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine
SMILESNn1c(Sc2ccc(C(F)(F)F)nn2)nnc1-c1cccs1
InChIInChI=1S/C11H7F3N6S2/c12-11(13,14)7-3-4-8(17-16-7)22-10-19-18-9(20(10)15)6-2-1-5-21-6/h1-5H,15H2
InChIKeyXVPLECNADRXCGK-UHFFFAOYSA-N
XLogP2.68
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine with MolForge

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Related Compounds

3-thiophen-2-yl-5-[4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,2,4-triazol-4-amine
CID 133369707
3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133432733
3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133432792
3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 133389043
3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 133492805
3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 40881127
3-[(3-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 1491543
3-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133432951
5-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-chloro-2-methylpyridazin-3-one
CID 133389044
4-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile
CID 47105944
3-(8-nitroisoquinolin-5-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 133369737
3-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133420939

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine (CID 133420658) is 3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine is Nn1c(Sc2ccc(C(F)(F)F)nn2)nnc1-c1cccs1.
What is the InChIKey of 3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine?
The InChIKey is XVPLECNADRXCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6S2/c12-11(13,14)7-3-4-8(17-16-7)22-10-19-18-9(20(10)15)6-2-1-5-21-6/h1-5H,15H2.
What are the key properties of 3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine?
3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine has a molecular weight of 344.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 133420658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).