(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol

C6H11N3OS — CID 126994903

IUPAC(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol
SMILESCCSc1nnc(CO)n1C
InChIInChI=1S/C6H11N3OS/c1-3-11-6-8-7-5(4-10)9(6)2/h10H,3-4H2,1-2H3
InChIKeyLKTLWWJRTHLQRG-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.42
Rot. Bonds3

About (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol

(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol (PubChem CID 126994903) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol
PubChem CID126994903
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol
SMILESCCSc1nnc(CO)n1C
InChIInChI=1S/C6H11N3OS/c1-3-11-6-8-7-5(4-10)9(6)2/h10H,3-4H2,1-2H3
InChIKeyLKTLWWJRTHLQRG-UHFFFAOYSA-N
XLogP0.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 75480383
3-(ethoxymethylsulfanyl)-5-ethyl-4-methyl-1,2,4-triazole
CID 100686943
1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 6489572
[5-[(3-bromo-5-nitro-2-pyridinyl)sulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 133385433
2-[[5-(4-hydroxybutyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392944
[5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol
CID 133385474
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-methylacetamide
CID 63313324
N-[[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]methyl]propanamide
CID 42452678
[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-[2-[[5-(2-aminoethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]ethanol;hydrochloride
CID 154904525
2-[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine
CID 39243475
[5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63313414

Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol (CID 126994903) is (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol is CCSc1nnc(CO)n1C.
What is the InChIKey of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is LKTLWWJRTHLQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-3-11-6-8-7-5(4-10)9(6)2/h10H,3-4H2,1-2H3.
What are the key properties of (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol?
(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 173.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 126994903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).