1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol

C12H15N3OS — CID 112680054

IUPAC1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1Sc1nncn1C
InChIInChI=1S/C12H15N3OS/c1-3-10(16)9-6-4-5-7-11(9)17-12-14-13-8-15(12)2/h4-8,10,16H,3H2,1-2H3
InChIKeyFUIZLFWNBGLOCP-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.41
Rot. Bonds4

About 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol

1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol (PubChem CID 112680054) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol
PubChem CID112680054
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1Sc1nncn1C
InChIInChI=1S/C12H15N3OS/c1-3-10(16)9-6-4-5-7-11(9)17-12-14-13-8-15(12)2/h4-8,10,16H,3H2,1-2H3
InChIKeyFUIZLFWNBGLOCP-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 63813692
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 63812777
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 43189336
1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-ol
CID 112680041
(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
CID 103960726
(1S)-1-(2-phenylsulfanylphenyl)propan-1-ol
CID 103960694
(1R)-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propan-1-ol
CID 103960736
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 28602383
methyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzoate
CID 138109724
1-(4-aminophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 62266642
[2-chloro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 62496319
(1S)-1-(2-butylsulfanylphenyl)propan-1-ol
CID 103960769

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol (CID 112680054) is 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol is CCC(O)c1ccccc1Sc1nncn1C.
What is the InChIKey of 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol?
The InChIKey is FUIZLFWNBGLOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-10(16)9-6-4-5-7-11(9)17-12-14-13-8-15(12)2/h4-8,10,16H,3H2,1-2H3.
What are the key properties of 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol?
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol has a molecular weight of 249.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol is sourced from PubChem (CID 112680054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).