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

C10H14F2N6 — CID 66192538

IUPACN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C10H14F2N6/c1-2-13-5-8-6-17(16-15-8)7-9-14-3-4-18(9)10(11)12/h3-4,6,10,13H,2,5,7H2,1H3
InChIKeyYAYGLVILPNKBDJ-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.03
Rot. Bonds6

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

N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 66192538) has the molecular formula C10H14F2N6 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine
PubChem CID66192538
Molecular FormulaC10H14F2N6
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C10H14F2N6/c1-2-13-5-8-6-17(16-15-8)7-9-14-3-4-18(9)10(11)12/h3-4,6,10,13H,2,5,7H2,1H3
InChIKeyYAYGLVILPNKBDJ-UHFFFAOYSA-N
XLogP1.03
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

MAT-POS-ea426761-49
CID 56864220
2-(4-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]ethanamine
CID 53614784
2-pyrazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]ethanamine
CID 53618590
(2,2-Difluoroethyl)[(1-methyl-1H-imidazol-5-YL)methyl]amine
CID 115405646
5'-methyl-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 70787208
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
ethene;5-(2-methyl-1H-imidazol-5-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 144159765

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine (CID 66192538) is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2nccn2C(F)F)nn1.
What is the InChIKey of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is YAYGLVILPNKBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N6/c1-2-13-5-8-6-17(16-15-8)7-9-14-3-4-18(9)10(11)12/h3-4,6,10,13H,2,5,7H2,1H3.
What are the key properties of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 256.26 g/mol, XLogP of 1.03, 6 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]ethanamine is sourced from PubChem (CID 66192538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).