[5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol

C16H12F4N4O — CID 118903070

IUPAC[5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCn1nc(-c2ccc(F)cc2)nc1C(O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C16H12F4N4O/c1-24-15(22-14(23-24)9-2-4-11(17)5-3-9)13(25)10-6-7-21-12(8-10)16(18,19)20/h2-8,13,25H,1H3
InChIKeyOUDQUXKWMDLMSE-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.12
Rot. Bonds3

About [5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol

[5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 118903070) has the molecular formula C16H12F4N4O and a molecular weight of 352.29 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID118903070
Molecular FormulaC16H12F4N4O
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCn1nc(-c2ccc(F)cc2)nc1C(O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C16H12F4N4O/c1-24-15(22-14(23-24)9-2-4-11(17)5-3-9)13(25)10-6-7-21-12(8-10)16(18,19)20/h2-8,13,25H,1H3
InChIKeyOUDQUXKWMDLMSE-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol (CID 118903070) is [5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol is Cn1nc(-c2ccc(F)cc2)nc1C(O)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is OUDQUXKWMDLMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O/c1-24-15(22-14(23-24)9-2-4-11(17)5-3-9)13(25)10-6-7-21-12(8-10)16(18,19)20/h2-8,13,25H,1H3.
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol?
[5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 352.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 118903070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).