(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol

C9H9N3O — CID 40540193

IUPAC(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol
SMILESO[C@H](c1ccccc1)c1ncn[nH]1
InChIInChI=1S/C9H9N3O/c13-8(9-10-6-11-12-9)7-4-2-1-3-5-7/h1-6,8,13H,(H,10,11,12)/t8-/m1/s1
InChIKeyLMZVNLVHAMIVEJ-MRVPVSSYSA-N
MW175.19 g/mol
LogP0.89
Rot. Bonds2

About (R)-phenyl(1H-1,2,4-triazol-5-yl)methanol

(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 40540193) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (R)-phenyl(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol
PubChem CID40540193
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol
SMILESO[C@H](c1ccccc1)c1ncn[nH]1
InChIInChI=1S/C9H9N3O/c13-8(9-10-6-11-12-9)7-4-2-1-3-5-7/h1-6,8,13H,(H,10,11,12)/t8-/m1/s1
InChIKeyLMZVNLVHAMIVEJ-MRVPVSSYSA-N
XLogP0.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 94888605
(3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
CID 116543622
(4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol
CID 65362952
isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol
CID 65363281
2-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 114167990
(2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol
CID 116517213
3-methyl-2-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butan-1-amine
CID 106281802
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
[(4-phenylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230368
(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
CID 65363337
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993

Frequently Asked Questions

What is the IUPAC name of (R)-phenyl(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (R)-phenyl(1H-1,2,4-triazol-5-yl)methanol (CID 40540193) is (R)-phenyl(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (R)-phenyl(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (R)-phenyl(1H-1,2,4-triazol-5-yl)methanol is O[C@H](c1ccccc1)c1ncn[nH]1.
What is the InChIKey of (R)-phenyl(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is LMZVNLVHAMIVEJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9N3O/c13-8(9-10-6-11-12-9)7-4-2-1-3-5-7/h1-6,8,13H,(H,10,11,12)/t8-/m1/s1.
What are the key properties of (R)-phenyl(1H-1,2,4-triazol-5-yl)methanol?
(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 175.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 40540193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).