3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine

C14H12F3N7S — CID 133369354

IUPAC3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine
SMILESCCc1nnc(Sc2cc(C(F)(F)F)nc(-c3cccnc3)n2)n1N
InChIInChI=1S/C14H12F3N7S/c1-2-10-22-23-13(24(10)18)25-11-6-9(14(15,16)17)20-12(21-11)8-4-3-5-19-7-8/h3-7H,2,18H2,1H3
InChIKeyNGLHIJHJTIDMII-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.58
Rot. Bonds4

About 3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine

3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine (PubChem CID 133369354) has the molecular formula C14H12F3N7S and a molecular weight of 367.36 g/mol. Its IUPAC name is 3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine
PubChem CID133369354
Molecular FormulaC14H12F3N7S
Molecular Weight367.36 g/mol
Exact Mass367.08
IUPAC Name3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine
SMILESCCc1nnc(Sc2cc(C(F)(F)F)nc(-c3cccnc3)n2)n1N
InChIInChI=1S/C14H12F3N7S/c1-2-10-22-23-13(24(10)18)25-11-6-9(14(15,16)17)20-12(21-11)8-4-3-5-19-7-8/h3-7H,2,18H2,1H3
InChIKeyNGLHIJHJTIDMII-UHFFFAOYSA-N
XLogP2.58
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-tert-butyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine
CID 133369566
[4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol
CID 133385477
[4-methyl-5-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol
CID 133385450
3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374371
N'-ethyl-N-methyl-N'-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 71854378
3,4-diethyl-5-[[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1H-pyridazin-6-one
CID 133367453
N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133380378
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 136526304
3-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133432870
3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine
CID 18726700
(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 95629224
2-methyl-3-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanoic acid
CID 122064874

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine (CID 133369354) is 3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine is CCc1nnc(Sc2cc(C(F)(F)F)nc(-c3cccnc3)n2)n1N.
What is the InChIKey of 3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine?
The InChIKey is NGLHIJHJTIDMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N7S/c1-2-10-22-23-13(24(10)18)25-11-6-9(14(15,16)17)20-12(21-11)8-4-3-5-19-7-8/h3-7H,2,18H2,1H3.
What are the key properties of 3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine?
3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine has a molecular weight of 367.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 133369354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).