2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol

C6H11N3O — CID 18726591

IUPAC2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol
SMILESCc1nnc(CCO)n1C
InChIInChI=1S/C6H11N3O/c1-5-7-8-6(3-4-10)9(5)2/h10H,3-4H2,1-2H3
InChIKeyULPGQHJHTYYIDN-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.34
Rot. Bonds2

About 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol

2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 18726591) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol
PubChem CID18726591
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol
SMILESCc1nnc(CCO)n1C
InChIInChI=1S/C6H11N3O/c1-5-7-8-6(3-4-10)9(5)2/h10H,3-4H2,1-2H3
InChIKeyULPGQHJHTYYIDN-UHFFFAOYSA-N
XLogP-0.34
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
2-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 75360918
(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
2-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 65600773
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
3-[3,5-Bis(trifluoromethyl)-1,2,4-triazol-4-yl]propan-1-ol
CID 10706650
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109888
3-[(4-Ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109931
[4-Ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396610

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol (CID 18726591) is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol is Cc1nnc(CCO)n1C.
What is the InChIKey of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is ULPGQHJHTYYIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5-7-8-6(3-4-10)9(5)2/h10H,3-4H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol?
2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 141.17 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 18726591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).