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

C8H10F2N6 — CID 62053788

IUPAC[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C8H10F2N6/c9-8(10)16-2-1-12-7(16)5-15-4-6(3-11)13-14-15/h1-2,4,8H,3,5,11H2
InChIKeyBRQDKTLQCKQPRG-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.38
Rot. Bonds4

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

[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine (PubChem CID 62053788) has the molecular formula C8H10F2N6 and a molecular weight of 228.21 g/mol. Its IUPAC name is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine
PubChem CID62053788
Molecular FormulaC8H10F2N6
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C8H10F2N6/c9-8(10)16-2-1-12-7(16)5-15-4-6(3-11)13-14-15/h1-2,4,8H,3,5,11H2
InChIKeyBRQDKTLQCKQPRG-UHFFFAOYSA-N
XLogP0.38
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.38
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
2-pyrazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]ethanamine
CID 53618590
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
(1-(2,2,2-Trifluoroethyl)-1H-imidazol-5-YL)methanamine
CID 66146498
(1-(2,2,2-Trifluoroethyl)-1H-imidazol-4-yl)methanamine
CID 83875037
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
3-(1,5-dimethylimidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 142348054
5-Chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine
CID 174301361
1-(Imidazol-5-ylmethyl)-1h-1,2,3-tri-azole
CID 129759567

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine (CID 62053788) is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine is NCc1cn(Cc2nccn2C(F)F)nn1.
What is the InChIKey of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine?
The InChIKey is BRQDKTLQCKQPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N6/c9-8(10)16-2-1-12-7(16)5-15-4-6(3-11)13-14-15/h1-2,4,8H,3,5,11H2.
What are the key properties of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine?
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine has a molecular weight of 228.21 g/mol, XLogP of 0.38, 4 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-yl]methanamine is sourced from PubChem (CID 62053788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).