[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine

C10H10F2N4 — CID 82924780

IUPAC[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H10F2N4/c11-8-2-1-7(3-9(8)12)5-16-6-14-10(4-13)15-16/h1-3,6H,4-5,13H2
InChIKeyQGFNFXYYJXUZKG-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.06
Rot. Bonds3

About [1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine

[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 82924780) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is [1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID82924780
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H10F2N4/c11-8-2-1-7(3-9(8)12)5-16-6-14-10(4-13)15-16/h1-3,6H,4-5,13H2
InChIKeyQGFNFXYYJXUZKG-UHFFFAOYSA-N
XLogP1.06
TPSA56.73 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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-iodo-1,2,4-triazole
CID 82935002
N-[[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 82923811
[1-[(4-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 114859929
N-[[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 82924328
1-[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359676
[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methanamine
CID 82929588
1-[(4-bromo-3-fluorophenyl)methyl]-1,2,4-triazol-3-amine
CID 165479866
2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 82930056
1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole
CID 82935303
2-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]oxyethanamine
CID 162788173
N-[[1-[(4-chloro-3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 107888073
[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 62949782

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine (CID 82924780) is [1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine is NCc1ncn(Cc2ccc(F)c(F)c2)n1.
What is the InChIKey of [1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is QGFNFXYYJXUZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c11-8-2-1-7(3-9(8)12)5-16-6-14-10(4-13)15-16/h1-3,6H,4-5,13H2.
What are the key properties of [1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 224.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82924780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).