1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine

C11H13FN4 — CID 117167487

IUPAC1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cn(-c2ccccc2F)nn1
InChIInChI=1S/C11H13FN4/c1-8(13-2)10-7-16(15-14-10)11-6-4-3-5-9(11)12/h3-8,13H,1-2H3
InChIKeyCBYCSOQLEQKVPI-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.69
Rot. Bonds3

About 1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine

1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine (PubChem CID 117167487) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
PubChem CID117167487
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cn(-c2ccccc2F)nn1
InChIInChI=1S/C11H13FN4/c1-8(13-2)10-7-16(15-14-10)11-6-4-3-5-9(11)12/h3-8,13H,1-2H3
InChIKeyCBYCSOQLEQKVPI-UHFFFAOYSA-N
XLogP1.69
TPSA42.74 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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole
CID 143435113
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
CID 117167604
1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine
CID 117167721
7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 134608174
4-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)triazole
CID 81445040
4-chloro-7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]-5-iodopyrrolo[2,3-d]pyrimidine
CID 134518737
1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine
CID 114419303
4-(1-bromoethyl)-1-(2-bromophenyl)triazole
CID 81445151
4-(1-chloroethyl)-1-(2,6-difluorophenyl)triazole
CID 81449243
5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518575
N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 117167498
4-[(2R)-butan-2-yl]-1-(2,5-difluorophenyl)triazole
CID 135133408

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine (CID 117167487) is 1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine is CNC(C)c1cn(-c2ccccc2F)nn1.
What is the InChIKey of 1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine?
The InChIKey is CBYCSOQLEQKVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-8(13-2)10-7-16(15-14-10)11-6-4-3-5-9(11)12/h3-8,13H,1-2H3.
What are the key properties of 1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine?
1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine has a molecular weight of 220.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 117167487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).