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

C8H15N3OS — CID 79175697

IUPAC2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol
SMILESCn1cnnc1SCCC(C)(C)O
InChIInChI=1S/C8H15N3OS/c1-8(2,12)4-5-13-7-10-9-6-11(7)3/h6,12H,4-5H2,1-3H3
InChIKeyKVILXEMLIGLTDC-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.07
Rot. Bonds4

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

2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol (PubChem CID 79175697) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol
PubChem CID79175697
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol
SMILESCn1cnnc1SCCC(C)(C)O
InChIInChI=1S/C8H15N3OS/c1-8(2,12)4-5-13-7-10-9-6-11(7)3/h6,12H,4-5H2,1-3H3
InChIKeyKVILXEMLIGLTDC-UHFFFAOYSA-N
XLogP1.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

4-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylbutan-2-ol
CID 111753485
2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-amine
CID 65248710
N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanimidamide
CID 77062438
2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol
CID 64806394
2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 64807439
3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
CID 2385589
N-tert-butyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 4655394
3-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazole
CID 131206964
3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine;hydrochloride
CID 86262381
2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 64807236
methyl 2-amino-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylbutanoate
CID 116694621

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol?
The IUPAC name of 2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol (CID 79175697) is 2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol is Cn1cnnc1SCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol?
The InChIKey is KVILXEMLIGLTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-8(2,12)4-5-13-7-10-9-6-11(7)3/h6,12H,4-5H2,1-3H3.
What are the key properties of 2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol?
2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol has a molecular weight of 201.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol is sourced from PubChem (CID 79175697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).