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

C11H13FN4 — CID 79542224

IUPAC5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN4/c1-2-10-11(13)14-15-16(10)7-8-3-5-9(12)6-4-8/h3-6H,2,7,13H2,1H3
InChIKeyJPWABNTZRKEQPZ-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.61
Rot. Bonds3

About 5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine

5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine (PubChem CID 79542224) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine
PubChem CID79542224
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN4/c1-2-10-11(13)14-15-16(10)7-8-3-5-9(12)6-4-8/h3-6H,2,7,13H2,1H3
InChIKeyJPWABNTZRKEQPZ-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine (CID 79542224) is 5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine is CCc1c(N)nnn1Cc1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine?
The InChIKey is JPWABNTZRKEQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-2-10-11(13)14-15-16(10)7-8-3-5-9(12)6-4-8/h3-6H,2,7,13H2,1H3.
What are the key properties of 5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine?
5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine has a molecular weight of 220.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine is sourced from PubChem (CID 79542224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).