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

C15H16N6OS — CID 133385474

IUPAC[5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCc1cc(Sc2nnc(CO)n2C)nc(-c2ccncc2)n1
InChIInChI=1S/C15H16N6OS/c1-3-11-8-13(23-15-20-19-12(9-22)21(15)2)18-14(17-11)10-4-6-16-7-5-10/h4-8,22H,3,9H2,1-2H3
InChIKeyLGMJLSBENAGNEJ-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.87
Rot. Bonds5

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

[5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 133385474) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is [5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID133385474
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name[5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCc1cc(Sc2nnc(CO)n2C)nc(-c2ccncc2)n1
InChIInChI=1S/C15H16N6OS/c1-3-11-8-13(23-15-20-19-12(9-22)21(15)2)18-14(17-11)10-4-6-16-7-5-10/h4-8,22H,3,9H2,1-2H3
InChIKeyLGMJLSBENAGNEJ-UHFFFAOYSA-N
XLogP1.87
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

[5-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol
CID 133385417
[4-methyl-5-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol
CID 133385450
[4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol
CID 133385477
4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine
CID 133303887
6-chloro-2-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]quinoline-4-carbonitrile
CID 75440695
4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 133472657
[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
[2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol
CID 66150710
2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol
CID 71996386
(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 126994903
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295060
[4-methyl-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,2,4-triazol-3-yl]methanol
CID 133385438

Frequently Asked Questions

What is the IUPAC name of [5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol (CID 133385474) is [5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol is CCc1cc(Sc2nnc(CO)n2C)nc(-c2ccncc2)n1.
What is the InChIKey of [5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is LGMJLSBENAGNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-3-11-8-13(23-15-20-19-12(9-22)21(15)2)18-14(17-11)10-4-6-16-7-5-10/h4-8,22H,3,9H2,1-2H3.
What are the key properties of [5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 328.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 133385474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).