1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol

C10H8F3N3O — CID 65362708

IUPAC1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)c1ncn[nH]1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-3-1-2-6(4-7)8(17)9-14-5-15-16-9/h1-5,8,17H,(H,14,15,16)
InChIKeyBSSGIUNVHCIDEF-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.91
Rot. Bonds2

About 1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol

1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 65362708) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol
PubChem CID65362708
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)c1ncn[nH]1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-3-1-2-6(4-7)8(17)9-14-5-15-16-9/h1-5,8,17H,(H,14,15,16)
InChIKeyBSSGIUNVHCIDEF-UHFFFAOYSA-N
XLogP1.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of 1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol (CID 65362708) is 1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for 1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for 1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol is OC(c1cccc(C(F)(F)F)c1)c1ncn[nH]1.
What is the InChIKey of 1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is BSSGIUNVHCIDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)7-3-1-2-6(4-7)8(17)9-14-5-15-16-9/h1-5,8,17H,(H,14,15,16).
What are the key properties of 1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol?
1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 243.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 65362708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).