(1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol

C14H19N3O — CID 129393823

IUPAC(1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol
SMILESC[C@H](O)c1cn(-c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C14H19N3O/c1-10(18)13-9-17(16-15-13)12-7-5-11(6-8-12)14(2,3)4/h5-10,18H,1-4H3/t10-/m0/s1
InChIKeyAEFIJKCFONOOJZ-JTQLQIEISA-N
MW245.33 g/mol
LogP2.62
Rot. Bonds2

About (1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol

(1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol (PubChem CID 129393823) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol
PubChem CID129393823
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol
SMILESC[C@H](O)c1cn(-c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C14H19N3O/c1-10(18)13-9-17(16-15-13)12-7-5-11(6-8-12)14(2,3)4/h5-10,18H,1-4H3/t10-/m0/s1
InChIKeyAEFIJKCFONOOJZ-JTQLQIEISA-N
XLogP2.62
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol
CID 129393821
4-tert-butyl-1-(4-tert-butylphenyl)triazole
CID 162480796
1-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]ethanol
CID 81444577
(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 129393829
(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol
CID 129393826
1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol
CID 81444929
1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
CID 81445194
1-(1-quinolin-6-yltriazol-4-yl)ethanol
CID 81444375
1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol
CID 107586775
4-(1-chloroethyl)-1-phenyltriazole
CID 71756176
1-[1-(3-bromo-4-nitrophenyl)triazol-4-yl]ethanol
CID 82866649
3,5-bis[1-[4-[tris(4-tert-butylphenyl)methyl]phenyl]triazol-4-yl]pyridine
CID 71553206

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol (CID 129393823) is (1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol is C[C@H](O)c1cn(-c2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of (1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol?
The InChIKey is AEFIJKCFONOOJZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(18)13-9-17(16-15-13)12-7-5-11(6-8-12)14(2,3)4/h5-10,18H,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol?
(1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol has a molecular weight of 245.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 129393823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).