1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine

C11H12F2N4 — CID 107513462

IUPAC1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCNC(c1ncn[nH]1)c1ccc(C)c(F)c1F
InChIInChI=1S/C11H12F2N4/c1-6-3-4-7(9(13)8(6)12)10(14-2)11-15-5-16-17-11/h3-5,10,14H,1-2H3,(H,15,16,17)
InChIKeyJVWPPNLKQYKZMO-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.70
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine

1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 107513462) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID107513462
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCNC(c1ncn[nH]1)c1ccc(C)c(F)c1F
InChIInChI=1S/C11H12F2N4/c1-6-3-4-7(9(13)8(6)12)10(14-2)11-15-5-16-17-11/h3-5,10,14H,1-2H3,(H,15,16,17)
InChIKeyJVWPPNLKQYKZMO-UHFFFAOYSA-N
XLogP1.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-difluorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360302
1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine
CID 107513783
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 107513662
N-[(2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360144
[(2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230315
1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 107515485
(2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
CID 82822036
N-[(2-chloro-5-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 105395051
N-[(2-methoxy-3,4-dimethylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 103433605
(4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362958
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 107515323

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine (CID 107513462) is 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine is CNC(c1ncn[nH]1)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is JVWPPNLKQYKZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-6-3-4-7(9(13)8(6)12)10(14-2)11-15-5-16-17-11/h3-5,10,14H,1-2H3,(H,15,16,17).
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine?
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 238.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 107513462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).