N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine

C11H13FN4 — CID 57159417

IUPACN-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine
SMILESCCNc1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C11H13FN4/c1-2-13-11-8-16(15-14-11)7-9-5-3-4-6-10(9)12/h3-6,8,13H,2,7H2,1H3
InChIKeyGHUWUAGCLYADER-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.90
Rot. Bonds4

About N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine

N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine (PubChem CID 57159417) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine
PubChem CID57159417
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC NameN-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine
SMILESCCNc1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C11H13FN4/c1-2-13-11-8-16(15-14-11)7-9-5-3-4-6-10(9)12/h3-6,8,13H,2,7H2,1H3
InChIKeyGHUWUAGCLYADER-UHFFFAOYSA-N
XLogP1.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine?
The IUPAC name of N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine (CID 57159417) is N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine.
What is the SMILES notation for N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine?
The canonical SMILES for N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine is CCNc1cn(Cc2ccccc2F)nn1.
What is the InChIKey of N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine?
The InChIKey is GHUWUAGCLYADER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-2-13-11-8-16(15-14-11)7-9-5-3-4-6-10(9)12/h3-6,8,13H,2,7H2,1H3.
What are the key properties of N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine?
N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine has a molecular weight of 220.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-amine is sourced from PubChem (CID 57159417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).