2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

C11H13FN4 — CID 65363369

IUPAC2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1)c1ncn[nH]1
InChIInChI=1S/C11H13FN4/c1-13-10(11-14-7-15-16-11)6-8-2-4-9(12)5-3-8/h2-5,7,10,13H,6H2,1H3,(H,14,15,16)
InChIKeyDPQAIBKSNKKGAZ-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.45
Rot. Bonds4

About 2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 65363369) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID65363369
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1)c1ncn[nH]1
InChIInChI=1S/C11H13FN4/c1-13-10(11-14-7-15-16-11)6-8-2-4-9(12)5-3-8/h2-5,7,10,13H,6H2,1H3,(H,14,15,16)
InChIKeyDPQAIBKSNKKGAZ-UHFFFAOYSA-N
XLogP1.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 65363369) is 2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is CNC(Cc1ccc(F)cc1)c1ncn[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is DPQAIBKSNKKGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-13-10(11-14-7-15-16-11)6-8-2-4-9(12)5-3-8/h2-5,7,10,13H,6H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 220.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 65363369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).