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

C14H11F3N6OS — CID 133385477

IUPAC[4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1Sc1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C14H11F3N6OS/c1-23-10(7-24)21-22-13(23)25-11-5-9(14(15,16)17)19-12(20-11)8-3-2-4-18-6-8/h2-6,24H,7H2,1H3
InChIKeyBKZGCBPGWBMSEM-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.33
Rot. Bonds4

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

[4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol (PubChem CID 133385477) has the molecular formula C14H11F3N6OS and a molecular weight of 368.34 g/mol. Its IUPAC name is [4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol
PubChem CID133385477
Molecular FormulaC14H11F3N6OS
Molecular Weight368.34 g/mol
Exact Mass368.07
IUPAC Name[4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1Sc1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C14H11F3N6OS/c1-23-10(7-24)21-22-13(23)25-11-5-9(14(15,16)17)19-12(20-11)8-3-2-4-18-6-8/h2-6,24H,7H2,1H3
InChIKeyBKZGCBPGWBMSEM-UHFFFAOYSA-N
XLogP2.33
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

[4-methyl-5-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol
CID 133385450
3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine
CID 133369354
3-tert-butyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine
CID 133369566
[5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol
CID 133385474
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-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374371
2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133353265
2-methyl-3-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanoic acid
CID 122064874
[4-methyl-5-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,2,4-triazol-3-yl]methanol
CID 133385468
3-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133432870
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

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol (CID 133385477) is [4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1Sc1cc(C(F)(F)F)nc(-c2cccnc2)n1.
What is the InChIKey of [4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is BKZGCBPGWBMSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6OS/c1-23-10(7-24)21-22-13(23)25-11-5-9(14(15,16)17)19-12(20-11)8-3-2-4-18-6-8/h2-6,24H,7H2,1H3.
What are the key properties of [4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 368.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 133385477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).