2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline

C10H10F2N4 — CID 62757376

IUPAC2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
SMILESCn1cc(CNc2ccc(F)cc2F)nn1
InChIInChI=1S/C10H10F2N4/c1-16-6-8(14-15-16)5-13-10-3-2-7(11)4-9(10)12/h2-4,6,13H,5H2,1H3
InChIKeyPLHPLWTTWUGABF-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.71
Rot. Bonds3

About 2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline

2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline (PubChem CID 62757376) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
PubChem CID62757376
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
SMILESCn1cc(CNc2ccc(F)cc2F)nn1
InChIInChI=1S/C10H10F2N4/c1-16-6-8(14-15-16)5-13-10-3-2-7(11)4-9(10)12/h2-4,6,13H,5H2,1H3
InChIKeyPLHPLWTTWUGABF-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of 2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline (CID 62757376) is 2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline is Cn1cc(CNc2ccc(F)cc2F)nn1.
What is the InChIKey of 2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline?
The InChIKey is PLHPLWTTWUGABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-16-6-8(14-15-16)5-13-10-3-2-7(11)4-9(10)12/h2-4,6,13H,5H2,1H3.
What are the key properties of 2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline?
2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline has a molecular weight of 224.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(1-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 62757376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).