[5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine

C11H13FN4 — CID 105475486

IUPAC[5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine
SMILESCCc1nnn(-c2ccccc2F)c1CN
InChIInChI=1S/C11H13FN4/c1-2-9-11(7-13)16(15-14-9)10-6-4-3-5-8(10)12/h3-6H,2,7,13H2,1H3
InChIKeyXXCFHNHJHSNULG-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.43
Rot. Bonds3

About [5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine

[5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine (PubChem CID 105475486) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is [5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine
PubChem CID105475486
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name[5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine
SMILESCCc1nnn(-c2ccccc2F)c1CN
InChIInChI=1S/C11H13FN4/c1-2-9-11(7-13)16(15-14-9)10-6-4-3-5-8(10)12/h3-6H,2,7,13H2,1H3
InChIKeyXXCFHNHJHSNULG-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196549
[3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine
CID 105498553
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686714
[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196565
[5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 82196453
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
CID 105472466
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride
CID 155821941
[5-tert-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686716
5-butyl-1-(2-fluorophenyl)triazole-4-carbonitrile
CID 82196454
methyl 1-(2-fluorophenyl)-5-propyltriazole-4-carboxylate
CID 94068960
5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 91231371
[1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol
CID 94937256

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine (CID 105475486) is [5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine is CCc1nnn(-c2ccccc2F)c1CN.
What is the InChIKey of [5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine?
The InChIKey is XXCFHNHJHSNULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-2-9-11(7-13)16(15-14-9)10-6-4-3-5-8(10)12/h3-6H,2,7,13H2,1H3.
What are the key properties of [5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine?
[5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine has a molecular weight of 220.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 105475486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).