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

C13H14F3N3O — CID 143076065

IUPAC[2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol
SMILESCCn1nc(Cc2ccc(C(F)(F)F)cc2)nc1CO
InChIInChI=1S/C13H14F3N3O/c1-2-19-12(8-20)17-11(18-19)7-9-3-5-10(6-4-9)13(14,15)16/h3-6,20H,2,7-8H2,1H3
InChIKeyABTTYQWLVJJQKF-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.40
Rot. Bonds4

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

[2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 143076065) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is [2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID143076065
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name[2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol
SMILESCCn1nc(Cc2ccc(C(F)(F)F)cc2)nc1CO
InChIInChI=1S/C13H14F3N3O/c1-2-19-12(8-20)17-11(18-19)7-9-3-5-10(6-4-9)13(14,15)16/h3-6,20H,2,7-8H2,1H3
InChIKeyABTTYQWLVJJQKF-UHFFFAOYSA-N
XLogP2.40
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol (CID 143076065) is [2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol is CCn1nc(Cc2ccc(C(F)(F)F)cc2)nc1CO.
What is the InChIKey of [2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is ABTTYQWLVJJQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-2-19-12(8-20)17-11(18-19)7-9-3-5-10(6-4-9)13(14,15)16/h3-6,20H,2,7-8H2,1H3.
What are the key properties of [2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol?
[2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 285.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 143076065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).