1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine

C10H10F2N4 — CID 54446474

IUPAC1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine
SMILESCNc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C10H10F2N4/c1-13-10-6-16(15-14-10)5-7-8(11)3-2-4-9(7)12/h2-4,6,13H,5H2,1H3
InChIKeyWRWGTYNZFVAKNT-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.65
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine

1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine (PubChem CID 54446474) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine
PubChem CID54446474
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine
SMILESCNc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C10H10F2N4/c1-13-10-6-16(15-14-10)5-7-8(11)3-2-4-9(7)12/h2-4,6,13H,5H2,1H3
InChIKeyWRWGTYNZFVAKNT-UHFFFAOYSA-N
XLogP1.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine (CID 54446474) is 1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine is CNc1cn(Cc2c(F)cccc2F)nn1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine?
The InChIKey is WRWGTYNZFVAKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-13-10-6-16(15-14-10)5-7-8(11)3-2-4-9(7)12/h2-4,6,13H,5H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine?
1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine has a molecular weight of 224.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine is sourced from PubChem (CID 54446474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).