1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol

C17H17FN4O — CID 134589479

IUPAC1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol
SMILESCc1ccc(C(C)O)cc1Nc1ncn(-c2cccc(F)c2)n1
InChIInChI=1S/C17H17FN4O/c1-11-6-7-13(12(2)23)8-16(11)20-17-19-10-22(21-17)15-5-3-4-14(18)9-15/h3-10,12,23H,1-2H3,(H,20,21)
InChIKeyFWMFFQPWGPCGSU-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.51
Rot. Bonds4

About 1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol

1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol (PubChem CID 134589479) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol
PubChem CID134589479
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol
SMILESCc1ccc(C(C)O)cc1Nc1ncn(-c2cccc(F)c2)n1
InChIInChI=1S/C17H17FN4O/c1-11-6-7-13(12(2)23)8-16(11)20-17-19-10-22(21-17)15-5-3-4-14(18)9-15/h3-10,12,23H,1-2H3,(H,20,21)
InChIKeyFWMFFQPWGPCGSU-UHFFFAOYSA-N
XLogP3.51
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol?
The IUPAC name of 1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol (CID 134589479) is 1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol.
What is the SMILES notation for 1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol?
The canonical SMILES for 1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol is Cc1ccc(C(C)O)cc1Nc1ncn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol?
The InChIKey is FWMFFQPWGPCGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-11-6-7-13(12(2)23)8-16(11)20-17-19-10-22(21-17)15-5-3-4-14(18)9-15/h3-10,12,23H,1-2H3,(H,20,21).
What are the key properties of 1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol?
1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol has a molecular weight of 312.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]amino]-4-methylphenyl]ethanol is sourced from PubChem (CID 134589479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).