(5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C10H9F3N4O — CID 175818418

IUPAC(5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCc1n[nH]nc1C(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H9F3N4O/c1-5-8(16-17-15-5)9(18)6-2-3-7(14-4-6)10(11,12)13/h2-4,9,18H,1H3,(H,15,16,17)
InChIKeySMGAEENDIDPONN-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.61
Rot. Bonds2

About (5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

(5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 175818418) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is (5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID175818418
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name(5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCc1n[nH]nc1C(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H9F3N4O/c1-5-8(16-17-15-5)9(18)6-2-3-7(14-4-6)10(11,12)13/h2-4,9,18H,1H3,(H,15,16,17)
InChIKeySMGAEENDIDPONN-UHFFFAOYSA-N
XLogP1.61
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 175818418) is (5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is Cc1n[nH]nc1C(O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is SMGAEENDIDPONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-5-8(16-17-15-5)9(18)6-2-3-7(14-4-6)10(11,12)13/h2-4,9,18H,1H3,(H,15,16,17).
What are the key properties of (5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
(5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 258.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2H-triazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 175818418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).