(1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol

C14H19N3O — CID 79013978

IUPAC(1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol
SMILESCCc1nc(CC)n(-c2ccccc2[C@@H](C)O)n1
InChIInChI=1S/C14H19N3O/c1-4-13-15-14(5-2)17(16-13)12-9-7-6-8-11(12)10(3)18/h6-10,18H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyNQLVZTAGLWCLEX-SNVBAGLBSA-N
MW245.33 g/mol
LogP2.45
Rot. Bonds4

About (1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol

(1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol (PubChem CID 79013978) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol
PubChem CID79013978
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol
SMILESCCc1nc(CC)n(-c2ccccc2[C@@H](C)O)n1
InChIInChI=1S/C14H19N3O/c1-4-13-15-14(5-2)17(16-13)12-9-7-6-8-11(12)10(3)18/h6-10,18H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyNQLVZTAGLWCLEX-SNVBAGLBSA-N
XLogP2.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol
CID 82970450
(1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol
CID 82694027
[2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol
CID 114065334
(1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
CID 63372060
(1R)-1-[5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol
CID 103939008
2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine
CID 62677527
1-[5-(chloromethyl)-2-methylphenyl]-3,5-diethyl-1,2,4-triazole
CID 105405945
3-[4-(3,5-diethyl-1,2,4-triazol-1-yl)-3-methylphenyl]prop-2-enoic acid
CID 77098998
(2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol
CID 103935412
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine
CID 80868281
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
CID 55166791
(1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol
CID 63372128

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol (CID 79013978) is (1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol is CCc1nc(CC)n(-c2ccccc2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol?
The InChIKey is NQLVZTAGLWCLEX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-13-15-14(5-2)17(16-13)12-9-7-6-8-11(12)10(3)18/h6-10,18H,4-5H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol?
(1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol has a molecular weight of 245.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 79013978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).