5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine

C10H10F2N4 — CID 104605112

IUPAC5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(Cc2ccc(F)c(F)c2)nc1N
InChIInChI=1S/C10H10F2N4/c1-16-10(13)14-9(15-16)5-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H2,13,14,15)
InChIKeyKJQYIWUVPGEZHN-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.27
Rot. Bonds2

About 5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine

5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104605112) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID104605112
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(Cc2ccc(F)c(F)c2)nc1N
InChIInChI=1S/C10H10F2N4/c1-16-10(13)14-9(15-16)5-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H2,13,14,15)
InChIKeyKJQYIWUVPGEZHN-UHFFFAOYSA-N
XLogP1.27
TPSA56.73 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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605153
5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965772
5-(chloromethyl)-3-[(4-chlorophenyl)methyl]-1-methyl-1,2,4-triazole
CID 15917217
2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine
CID 104605278
2-fluoro-5-[2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]aniline
CID 82485622
1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105175964
1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine
CID 82926342
(3,4-difluorophenyl)methylazanium
CID 6951691
5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole
CID 29084660
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340
1,2-difluoro-4-(methylsulfanylmethyl)benzene
CID 89093376
2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 68965607

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine (CID 104605112) is 5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine is Cn1nc(Cc2ccc(F)c(F)c2)nc1N.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is KJQYIWUVPGEZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-16-10(13)14-9(15-16)5-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H2,13,14,15).
What are the key properties of 5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 224.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).