3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine

C12H7F3N8OS — CID 133389082

IUPAC3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine
SMILESNn1c(Sc2cc(C(F)(F)F)nc3ncnn23)nnc1-c1ccco1
InChIInChI=1S/C12H7F3N8OS/c13-12(14,15)7-4-8(23-10(19-7)17-5-18-23)25-11-21-20-9(22(11)16)6-2-1-3-24-6/h1-5H,16H2
InChIKeyPADUTZCBBJJLKZ-UHFFFAOYSA-N
MW368.30 g/mol
LogP1.86
Rot. Bonds3

About 3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine

3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine (PubChem CID 133389082) has the molecular formula C12H7F3N8OS and a molecular weight of 368.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine
PubChem CID133389082
Molecular FormulaC12H7F3N8OS
Molecular Weight368.30 g/mol
Exact Mass368.04
IUPAC Name3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine
SMILESNn1c(Sc2cc(C(F)(F)F)nc3ncnn23)nnc1-c1ccco1
InChIInChI=1S/C12H7F3N8OS/c13-12(14,15)7-4-8(23-10(19-7)17-5-18-23)25-11-21-20-9(22(11)16)6-2-1-3-24-6/h1-5H,16H2
InChIKeyPADUTZCBBJJLKZ-UHFFFAOYSA-N
XLogP1.86
TPSA112.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374371
3-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 133374350
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 4852586
3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374328
3-(furan-2-yl)-5-[(6-methyl-5-nitro-2-pyridinyl)sulfanyl]-1,2,4-triazol-4-amine
CID 133374365
3-[2-(2-fluorophenyl)sulfanylethylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 4822072
3-(furan-2-yl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 42479023
(2S)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 7273286
4-(furan-2-yl)-2-(trifluoromethyl)pyridine
CID 90317774
3-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133420874
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 46593532
3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 7273058

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine (CID 133389082) is 3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine is Nn1c(Sc2cc(C(F)(F)F)nc3ncnn23)nnc1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is PADUTZCBBJJLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N8OS/c13-12(14,15)7-4-8(23-10(19-7)17-5-18-23)25-11-21-20-9(22(11)16)6-2-1-3-24-6/h1-5H,16H2.
What are the key properties of 3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine?
3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 368.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 133389082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).