N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine

C10H14F2N6 — CID 55202481

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1cnnc1CCNCc1nccn1C(F)F
InChIInChI=1S/C10H14F2N6/c1-17-7-15-16-8(17)2-3-13-6-9-14-4-5-18(9)10(11)12/h4-5,7,10,13H,2-3,6H2,1H3
InChIKeySFCGLKPGKVQICJ-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.74
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 55202481) has the molecular formula C10H14F2N6 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID55202481
Molecular FormulaC10H14F2N6
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1cnnc1CCNCc1nccn1C(F)F
InChIInChI=1S/C10H14F2N6/c1-17-7-15-16-8(17)2-3-13-6-9-14-4-5-18(9)10(11)12/h4-5,7,10,13H,2-3,6H2,1H3
InChIKeySFCGLKPGKVQICJ-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-1-amine
CID 115641541
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylsulfinylethanamine
CID 115641707
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylsulfanylpropan-1-amine
CID 63966469
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332661
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 60721196
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(3-methylphenyl)ethanamine
CID 62313737
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332595
N-[(4-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63328885
2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 63332232
2-(cyclohexen-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 60718936
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylbutan-1-amine
CID 115641650
2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 115690184

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 55202481) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine is Cn1cnnc1CCNCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is SFCGLKPGKVQICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N6/c1-17-7-15-16-8(17)2-3-13-6-9-14-4-5-18(9)10(11)12/h4-5,7,10,13H,2-3,6H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 256.26 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 55202481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).