1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol

C12H14F2N4O — CID 62119737

IUPAC1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
SMILESCn1cnnc1CNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N4O/c1-18-7-16-17-12(18)6-15-5-11(19)8-2-3-9(13)10(14)4-8/h2-4,7,11,15,19H,5-6H2,1H3
InChIKeyUAEAZGUJMCPGQB-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.92
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol

1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol (PubChem CID 62119737) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
PubChem CID62119737
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
SMILESCn1cnnc1CNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N4O/c1-18-7-16-17-12(18)6-15-5-11(19)8-2-3-9(13)10(14)4-8/h2-4,7,11,15,19H,5-6H2,1H3
InChIKeyUAEAZGUJMCPGQB-UHFFFAOYSA-N
XLogP0.92
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol (CID 62119737) is 1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol is Cn1cnnc1CNCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The InChIKey is UAEAZGUJMCPGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-18-7-16-17-12(18)6-15-5-11(19)8-2-3-9(13)10(14)4-8/h2-4,7,11,15,19H,5-6H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol?
1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol has a molecular weight of 268.27 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 62119737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).