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

C10H16IN6- — CID 145491155

IUPACN-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine
SMILESCNc1nccn1Cc1cn(CC[I-]C)nn1
InChIInChI=1S/C10H16IN6/c1-11-3-5-17-8-9(14-15-17)7-16-6-4-13-10(16)12-2/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)/q-1
InChIKeyDGUWGRGBHCLGTN-UHFFFAOYSA-N
MW347.18 g/mol
LogP-2.72
Rot. Bonds6

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

N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine (PubChem CID 145491155) has the molecular formula C10H16IN6- and a molecular weight of 347.18 g/mol. Its IUPAC name is N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine
PubChem CID145491155
Molecular FormulaC10H16IN6-
Molecular Weight347.18 g/mol
Exact Mass347.05
IUPAC NameN-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine
SMILESCNc1nccn1Cc1cn(CC[I-]C)nn1
InChIInChI=1S/C10H16IN6/c1-11-3-5-17-8-9(14-15-17)7-16-6-4-13-10(16)12-2/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)/q-1
InChIKeyDGUWGRGBHCLGTN-UHFFFAOYSA-N
XLogP-2.72
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 5-2.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-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

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
4-[(3-methylimidazol-3-ium-1-yl)methyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole chloride
CID 25178009
4-[(3-methylimidazol-3-ium-1-yl)methyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole
CID 25178010
1-(Imidazol-5-ylmethyl)-1h-1,2,3-tri-azole
CID 129759567
3-[4-[(2-Nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-amine
CID 138968033
[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine
CID 62053788
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66191661
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine
CID 66191725
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66192071
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192183

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine?
The IUPAC name of N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine (CID 145491155) is N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine.
What is the SMILES notation for N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine?
The canonical SMILES for N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine is CNc1nccn1Cc1cn(CC[I-]C)nn1.
What is the InChIKey of N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine?
The InChIKey is DGUWGRGBHCLGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN6/c1-11-3-5-17-8-9(14-15-17)7-16-6-4-13-10(16)12-2/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)/q-1.
What are the key properties of N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine?
N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine has a molecular weight of 347.18 g/mol, XLogP of -2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[1-(2-methyliodanuidylethyl)triazol-4-yl]methyl]imidazol-2-amine is sourced from PubChem (CID 145491155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).