1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine

C11H13FN4 — CID 165477311

IUPAC1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2cccc(C)c2F)nn1
InChIInChI=1S/C11H13FN4/c1-8-4-3-5-10(11(8)12)16-7-9(6-13-2)14-15-16/h3-5,7,13H,6H2,1-2H3
InChIKeySGKLKWPJDYMSOK-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.43
Rot. Bonds3

About 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine

1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine (PubChem CID 165477311) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine
PubChem CID165477311
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2cccc(C)c2F)nn1
InChIInChI=1S/C11H13FN4/c1-8-4-3-5-10(11(8)12)16-7-9(6-13-2)14-15-16/h3-5,7,13H,6H2,1-2H3
InChIKeySGKLKWPJDYMSOK-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Trifluoromethylphenyl)-1H-1,2,3-triazole
CID 13106122
4-[1-(4-iodophenyl)triazol-4-yl]-N-methylaniline
CID 16736644
N-[(1-benzyltriazol-4-yl)methyl]aniline
CID 16745947
(1-phenyl-1H-1,2,3-triazol-4-yl)methanamine
CID 18526002
1-Benzyl-4-hexyl-triazole
CID 54772019
3-(1-benzyl-1H-1,2,3-triazol-4-yl)aniline
CID 49837517
4-phenyl-1-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-1,2,3,6-tetrahydropyridine
CID 44412458
(R)-1-(2-fluorophenyl)-4-((S)-2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487925
4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline
CID 56949927
(2R)-4-(4-methyltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 147962139
trans-(1R,2S)-2-(3,4-difluorophenyl)-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
CID 164612822
trans-(1R,2S)-2-(3,4-difluorophenyl)-N-[[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methyl]cyclopropan-1-amine
CID 164613857

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine (CID 165477311) is 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine is CNCc1cn(-c2cccc(C)c2F)nn1.
What is the InChIKey of 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine?
The InChIKey is SGKLKWPJDYMSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-8-4-3-5-10(11(8)12)16-7-9(6-13-2)14-15-16/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine?
1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine 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 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 165477311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).