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

C9H12F2N6 — CID 66191725

IUPAC1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C9H12F2N6/c1-12-4-7-5-16(15-14-7)6-8-13-2-3-17(8)9(10)11/h2-3,5,9,12H,4,6H2,1H3
InChIKeyCBJIRWBNLIWZBU-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.64
Rot. Bonds5

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

1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 66191725) has the molecular formula C9H12F2N6 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine
PubChem CID66191725
Molecular FormulaC9H12F2N6
Molecular Weight242.23 g/mol
Exact Mass242.11
IUPAC Name1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C9H12F2N6/c1-12-4-7-5-16(15-14-7)6-8-13-2-3-17(8)9(10)11/h2-3,5,9,12H,4,6H2,1H3
InChIKeyCBJIRWBNLIWZBU-UHFFFAOYSA-N
XLogP0.64
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-(18F)fluoroethyl)-4-[(2-nitroimidazol-1-yl)methyl]triazole
CID 25183525
1-(2-Fluoroethyl)-4-[(2-nitroimidazol-1-yl)methyl]triazole
CID 59511060
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
1-(2-Fluoroethyl)-4-[(5-methyl-2-nitroimidazol-1-yl)methyl]triazole
CID 71453181
1-(2-(18F)fluoroethyl)-4-[(5-methyl-2-nitroimidazol-1-yl)methyl]triazole
CID 71456706
(2,2-Difluoroethyl)[(1-methyl-1H-imidazol-5-YL)methyl]amine
CID 115405646
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine (CID 66191725) is 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(Cc2nccn2C(F)F)nn1.
What is the InChIKey of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is CBJIRWBNLIWZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N6/c1-12-4-7-5-16(15-14-7)6-8-13-2-3-17(8)9(10)11/h2-3,5,9,12H,4,6H2,1H3.
What are the key properties of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 242.23 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66191725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).