1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine

C7H8F2N6 — CID 79529608

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine
SMILESNc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C7H8F2N6/c8-7(9)15-2-1-11-6(15)4-14-3-5(10)12-13-14/h1-3,7H,4,10H2
InChIKeyMIZRHFUJPMKERL-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.50
Rot. Bonds3

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine (PubChem CID 79529608) has the molecular formula C7H8F2N6 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine
PubChem CID79529608
Molecular FormulaC7H8F2N6
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine
SMILESNc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C7H8F2N6/c8-7(9)15-2-1-11-6(15)4-14-3-5(10)12-13-14/h1-3,7H,4,10H2
InChIKeyMIZRHFUJPMKERL-UHFFFAOYSA-N
XLogP0.50
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine (CID 79529608) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine is Nc1cn(Cc2nccn2C(F)F)nn1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine?
The InChIKey is MIZRHFUJPMKERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N6/c8-7(9)15-2-1-11-6(15)4-14-3-5(10)12-13-14/h1-3,7H,4,10H2.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine has a molecular weight of 214.18 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine is sourced from PubChem (CID 79529608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).