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

C12H18F2N6 — CID 66192071

IUPACN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C12H18F2N6/c1-12(2,3)16-6-9-7-19(18-17-9)8-10-15-4-5-20(10)11(13)14/h4-5,7,11,16H,6,8H2,1-3H3
InChIKeyGEUCVODFYDMQNZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.81
Rot. Bonds5

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

N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66192071) has the molecular formula C12H18F2N6 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66192071
Molecular FormulaC12H18F2N6
Molecular Weight284.31 g/mol
Exact Mass284.16
IUPAC NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C12H18F2N6/c1-12(2,3)16-6-9-7-19(18-17-9)8-10-15-4-5-20(10)11(13)14/h4-5,7,11,16H,6,8H2,1-3H3
InChIKeyGEUCVODFYDMQNZ-UHFFFAOYSA-N
XLogP1.81
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66192071) is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cn(Cc2nccn2C(F)F)nn1.
What is the InChIKey of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GEUCVODFYDMQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N6/c1-12(2,3)16-6-9-7-19(18-17-9)8-10-15-4-5-20(10)11(13)14/h4-5,7,11,16H,6,8H2,1-3H3.
What are the key properties of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 284.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66192071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).