2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol

C13H15F2N3O — CID 59165295

IUPAC2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol
SMILESCCCc1nc(-c2ccc(F)cc2F)n(CCO)n1
InChIInChI=1S/C13H15F2N3O/c1-2-3-12-16-13(18(17-12)6-7-19)10-5-4-9(14)8-11(10)15/h4-5,8,19H,2-3,6-7H2,1H3
InChIKeyAQXNUPXQJJUXAY-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.17
Rot. Bonds5

About 2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol

2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol (PubChem CID 59165295) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol
PubChem CID59165295
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol
SMILESCCCc1nc(-c2ccc(F)cc2F)n(CCO)n1
InChIInChI=1S/C13H15F2N3O/c1-2-3-12-16-13(18(17-12)6-7-19)10-5-4-9(14)8-11(10)15/h4-5,8,19H,2-3,6-7H2,1H3
InChIKeyAQXNUPXQJJUXAY-UHFFFAOYSA-N
XLogP2.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol (CID 59165295) is 2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol is CCCc1nc(-c2ccc(F)cc2F)n(CCO)n1.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol?
The InChIKey is AQXNUPXQJJUXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-2-3-12-16-13(18(17-12)6-7-19)10-5-4-9(14)8-11(10)15/h4-5,8,19H,2-3,6-7H2,1H3.
What are the key properties of 2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol?
2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol has a molecular weight of 267.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 59165295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).