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

C12H18F2N6 — CID 66193635

IUPACN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C12H18F2N6/c1-9(2)5-15-6-10-7-19(18-17-10)8-11-16-3-4-20(11)12(13)14/h3-4,7,9,12,15H,5-6,8H2,1-2H3
InChIKeyNSAWCQLXSGRBTE-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.66
Rot. Bonds7

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

N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66193635) 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-1-amine.

Molecular Properties

Compound NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID66193635
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-1-amine
SMILESCC(C)CNCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C12H18F2N6/c1-9(2)5-15-6-10-7-19(18-17-10)8-11-16-3-4-20(11)12(13)14/h3-4,7,9,12,15H,5-6,8H2,1-2H3
InChIKeyNSAWCQLXSGRBTE-UHFFFAOYSA-N
XLogP1.66
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]ethanamine
CID 53614784
N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yl-1H-1,2,3-triazol-4-yl)-1H-imidazol-1-yl]propan-1-amine
CID 70757231
5'-methyl-1-(2,2,2-trifluoroethyl)-1H,3'H-2,4'-biimidazole
CID 56916971
N'-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylurea diformate
CID 122560925
N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 126796372
1-(2-methylpropyl)-N-[(3-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 132375692
N-methyl-1-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]methanamine
CID 84014508
N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine
CID 84016522
1-(2,2-difluoropropyl)-3-methyl-5-(2-methyl-1H-imidazol-5-yl)-1,2,4-triazole;ethene
CID 144159844
1-(2,2-difluoropropyl)-5-(2-methyl-1H-imidazol-5-yl)-1,2,4-triazole;prop-1-ene
CID 144160024
5-Chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine
CID 174301361
4-[(3-methylimidazol-3-ium-1-yl)methyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole chloride
CID 25178009

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (CID 66193635) is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cn(Cc2nccn2C(F)F)nn1.
What is the InChIKey of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NSAWCQLXSGRBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N6/c1-9(2)5-15-6-10-7-19(18-17-10)8-11-16-3-4-20(11)12(13)14/h3-4,7,9,12,15H,5-6,8H2,1-2H3.
What are the key properties of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 284.31 g/mol, XLogP of 1.66, 7 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-1-amine is sourced from PubChem (CID 66193635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).