6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine

C12H14F3N5S — CID 102720293

IUPAC6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C12H14F3N5S/c1-3-4-16-9-5-8(12(13,14)15)6-10(18-9)21-11-17-7(2)19-20-11/h5-6H,3-4H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyLFLITOZJCWQARA-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.50
Rot. Bonds5

About 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine

6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720293) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720293
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC Name6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C12H14F3N5S/c1-3-4-16-9-5-8(12(13,14)15)6-10(18-9)21-11-17-7(2)19-20-11/h5-6H,3-4H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyLFLITOZJCWQARA-UHFFFAOYSA-N
XLogP3.50
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720410
6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720339
2-methyl-3-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102720380
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720359
N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720227
3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102720320
N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720209
6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719417
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676
6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718352

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720293) is 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(Sc2n[nH]c(C)n2)n1.
What is the InChIKey of 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LFLITOZJCWQARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c1-3-4-16-9-5-8(12(13,14)15)6-10(18-9)21-11-17-7(2)19-20-11/h5-6H,3-4H2,1-2H3,(H,16,18)(H,17,19,20).
What are the key properties of 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 317.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).