[4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol

C13H17N3OS — CID 113371982

IUPAC[4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol
SMILESCCCn1ncnc1CSc1ccc(CO)cc1
InChIInChI=1S/C13H17N3OS/c1-2-7-16-13(14-10-15-16)9-18-12-5-3-11(8-17)4-6-12/h3-6,10,17H,2,7-9H2,1H3
InChIKeyQQZRKASAEBIUJD-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.47
Rot. Bonds6

About [4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol

[4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol (PubChem CID 113371982) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is [4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol
PubChem CID113371982
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name[4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol
SMILESCCCn1ncnc1CSc1ccc(CO)cc1
InChIInChI=1S/C13H17N3OS/c1-2-7-16-13(14-10-15-16)9-18-12-5-3-11(8-17)4-6-12/h3-6,10,17H,2,7-9H2,1H3
InChIKeyQQZRKASAEBIUJD-UHFFFAOYSA-N
XLogP2.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol with MolForge

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Related Compounds

[3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol
CID 66349523
[3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol
CID 66150885
1-(4-chlorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol
CID 66144345
[2-(2-phenylsulfanylethyl)-1,2,4-triazol-3-yl]methanol
CID 79228386
[1-(4-ethylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106850511
(2S)-2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]propanoic acid
CID 107773596
1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine
CID 66229898
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
[1-(4-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105236753
[1-(4-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319203
[2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149604
4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol
CID 60864055

Frequently Asked Questions

What is the IUPAC name of [4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol?
The IUPAC name of [4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol (CID 113371982) is [4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol?
The canonical SMILES for [4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol is CCCn1ncnc1CSc1ccc(CO)cc1.
What is the InChIKey of [4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol?
The InChIKey is QQZRKASAEBIUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-7-16-13(14-10-15-16)9-18-12-5-3-11(8-17)4-6-12/h3-6,10,17H,2,7-9H2,1H3.
What are the key properties of [4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol?
[4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol has a molecular weight of 263.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol is sourced from PubChem (CID 113371982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).