5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine

C10H10F2N4 — CID 112596565

IUPAC5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2c(F)cccc2F)n1C
InChIInChI=1S/C10H10F2N4/c1-13-10-15-14-9(16(10)2)8-6(11)4-3-5-7(8)12/h3-5H,1-2H3,(H,13,15)
InChIKeyNICLIMWUMYIQRE-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.80
Rot. Bonds2

About 5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112596565) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112596565
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2c(F)cccc2F)n1C
InChIInChI=1S/C10H10F2N4/c1-13-10-15-14-9(16(10)2)8-6(11)4-3-5-7(8)12/h3-5H,1-2H3,(H,13,15)
InChIKeyNICLIMWUMYIQRE-UHFFFAOYSA-N
XLogP1.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine
CID 112596568
5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83882734
N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 112596439
N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine
CID 112596529
5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596472
[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine
CID 35754935
5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596566
2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine
CID 104743877
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596389
5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 107811849
4-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]benzoic acid
CID 112597595
5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 106851433

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112596565) is 5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(-c2c(F)cccc2F)n1C.
What is the InChIKey of 5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is NICLIMWUMYIQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-13-10-15-14-9(16(10)2)8-6(11)4-3-5-7(8)12/h3-5H,1-2H3,(H,13,15).
What are the key properties of 5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 224.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).