1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol

C15H17FN6O — CID 167763458

IUPAC1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol
SMILESCCC(O)c1nc(-c2cnn(-c3ccc(F)cc3)n2)n(CC)n1
InChIInChI=1S/C15H17FN6O/c1-3-13(23)14-18-15(21(4-2)20-14)12-9-17-22(19-12)11-7-5-10(16)6-8-11/h5-9,13,23H,3-4H2,1-2H3
InChIKeyHVBZXOAHXLDKFN-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.13
Rot. Bonds5

About 1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol

1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol (PubChem CID 167763458) has the molecular formula C15H17FN6O and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol
PubChem CID167763458
Molecular FormulaC15H17FN6O
Molecular Weight316.34 g/mol
Exact Mass316.14
IUPAC Name1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol
SMILESCCC(O)c1nc(-c2cnn(-c3ccc(F)cc3)n2)n(CC)n1
InChIInChI=1S/C15H17FN6O/c1-3-13(23)14-18-15(21(4-2)20-14)12-9-17-22(19-12)11-7-5-10(16)6-8-11/h5-9,13,23H,3-4H2,1-2H3
InChIKeyHVBZXOAHXLDKFN-UHFFFAOYSA-N
XLogP2.13
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol (CID 167763458) is 1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol is CCC(O)c1nc(-c2cnn(-c3ccc(F)cc3)n2)n(CC)n1.
What is the InChIKey of 1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol?
The InChIKey is HVBZXOAHXLDKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O/c1-3-13(23)14-18-15(21(4-2)20-14)12-9-17-22(19-12)11-7-5-10(16)6-8-11/h5-9,13,23H,3-4H2,1-2H3.
What are the key properties of 1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol?
1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol has a molecular weight of 316.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-5-[2-(4-fluorophenyl)triazol-4-yl]-1,2,4-triazol-3-yl]propan-1-ol is sourced from PubChem (CID 167763458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).