1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol

C10H17N3OS — CID 105128683

IUPAC1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol
SMILESCn1nncc1C(O)CC1CCSCC1
InChIInChI=1S/C10H17N3OS/c1-13-9(7-11-12-13)10(14)6-8-2-4-15-5-3-8/h7-8,10,14H,2-6H2,1H3
InChIKeyRLGGKUIIRHNULM-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.38
Rot. Bonds3

About 1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol

1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol (PubChem CID 105128683) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol
PubChem CID105128683
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol
SMILESCn1nncc1C(O)CC1CCSCC1
InChIInChI=1S/C10H17N3OS/c1-13-9(7-11-12-13)10(14)6-8-2-4-15-5-3-8/h7-8,10,14H,2-6H2,1H3
InChIKeyRLGGKUIIRHNULM-UHFFFAOYSA-N
XLogP1.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686506
(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114685116
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151
2-amino-1-(3-methyltriazol-4-yl)ethanol
CID 114685353
2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol
CID 105103480
1-(2,3-difluoro-4-methylphenyl)-2-(thian-4-yl)ethanol
CID 107516261
2-cyclopentyl-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 105043854
1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol
CID 105096815
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol
CID 105130487
(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine
CID 114687447
6-bicyclo[3.1.0]hexanyl-(3-methyltriazol-4-yl)methanol
CID 115835967
3-methyl-1-(thian-4-yl)butan-2-ol
CID 105133542

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol?
The IUPAC name of 1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol (CID 105128683) is 1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol is Cn1nncc1C(O)CC1CCSCC1.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol?
The InChIKey is RLGGKUIIRHNULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-13-9(7-11-12-13)10(14)6-8-2-4-15-5-3-8/h7-8,10,14H,2-6H2,1H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol?
1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol has a molecular weight of 227.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol is sourced from PubChem (CID 105128683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).