[1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol

C9H7F3N4O — CID 130302397

IUPAC[1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol
SMILESOCc1cn(-c2ccnc(C(F)(F)F)c2)nn1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)8-3-7(1-2-13-8)16-4-6(5-17)14-15-16/h1-4,17H,5H2
InChIKeyOSSVKCXBNAPBKZ-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.17
Rot. Bonds2

About [1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol

[1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol (PubChem CID 130302397) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is [1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol
PubChem CID130302397
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name[1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol
SMILESOCc1cn(-c2ccnc(C(F)(F)F)c2)nn1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)8-3-7(1-2-13-8)16-4-6(5-17)14-15-16/h1-4,17H,5H2
InChIKeyOSSVKCXBNAPBKZ-UHFFFAOYSA-N
XLogP1.17
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol (CID 130302397) is [1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol is OCc1cn(-c2ccnc(C(F)(F)F)c2)nn1.
What is the InChIKey of [1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol?
The InChIKey is OSSVKCXBNAPBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c10-9(11,12)8-3-7(1-2-13-8)16-4-6(5-17)14-15-16/h1-4,17H,5H2.
What are the key properties of [1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol?
[1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol has a molecular weight of 244.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethyl)-4-pyridinyl]triazol-4-yl]methanol is sourced from PubChem (CID 130302397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).