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

C12H15N3OS — CID 66349523

IUPAC[3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol
SMILESCCn1ncnc1CSc1cccc(CO)c1
InChIInChI=1S/C12H15N3OS/c1-2-15-12(13-9-14-15)8-17-11-5-3-4-10(6-11)7-16/h3-6,9,16H,2,7-8H2,1H3
InChIKeyFVBJPRHLXPJOID-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.08
Rot. Bonds5

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

[3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol (PubChem CID 66349523) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is [3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol
PubChem CID66349523
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name[3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol
SMILESCCn1ncnc1CSc1cccc(CO)c1
InChIInChI=1S/C12H15N3OS/c1-2-15-12(13-9-14-15)8-17-11-5-3-4-10(6-11)7-16/h3-6,9,16H,2,7-8H2,1H3
InChIKeyFVBJPRHLXPJOID-UHFFFAOYSA-N
XLogP2.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol?
The IUPAC name of [3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol (CID 66349523) is [3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol.
What is the SMILES notation for [3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol?
The canonical SMILES for [3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol is CCn1ncnc1CSc1cccc(CO)c1.
What is the InChIKey of [3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol?
The InChIKey is FVBJPRHLXPJOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-15-12(13-9-14-15)8-17-11-5-3-4-10(6-11)7-16/h3-6,9,16H,2,7-8H2,1H3.
What are the key properties of [3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol?
[3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol has a molecular weight of 249.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol is sourced from PubChem (CID 66349523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).