(1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol

C10H11N3O — CID 63372128

IUPAC(1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1-n1cncn1
InChIInChI=1S/C10H11N3O/c1-8(14)9-4-2-3-5-10(9)13-7-11-6-12-13/h2-8,14H,1H3/t8-/m0/s1
InChIKeyDYBNNVYFSSTERM-QMMMGPOBSA-N
MW189.22 g/mol
LogP1.32
Rot. Bonds2

About (1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol

(1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol (PubChem CID 63372128) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol
PubChem CID63372128
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1-n1cncn1
InChIInChI=1S/C10H11N3O/c1-8(14)9-4-2-3-5-10(9)13-7-11-6-12-13/h2-8,14H,1H3/t8-/m0/s1
InChIKeyDYBNNVYFSSTERM-QMMMGPOBSA-N
XLogP1.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol (CID 63372128) is (1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol is C[C@H](O)c1ccccc1-n1cncn1.
What is the InChIKey of (1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol?
The InChIKey is DYBNNVYFSSTERM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8(14)9-4-2-3-5-10(9)13-7-11-6-12-13/h2-8,14H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol?
(1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol has a molecular weight of 189.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 63372128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).