N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine

C10H15ClN6 — CID 66193323

IUPACN-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ncc(Cl)n2C)nn1
InChIInChI=1S/C10H15ClN6/c1-3-12-4-8-6-17(15-14-8)7-10-13-5-9(11)16(10)2/h5-6,12H,3-4,7H2,1-2H3
InChIKeyVYYVWMFJEKWJMF-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.82
Rot. Bonds5

About N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine

N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 66193323) has the molecular formula C10H15ClN6 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine
PubChem CID66193323
Molecular FormulaC10H15ClN6
Molecular Weight254.72 g/mol
Exact Mass254.10
IUPAC NameN-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ncc(Cl)n2C)nn1
InChIInChI=1S/C10H15ClN6/c1-3-12-4-8-6-17(15-14-8)7-10-13-5-9(11)16(10)2/h5-6,12H,3-4,7H2,1-2H3
InChIKeyVYYVWMFJEKWJMF-UHFFFAOYSA-N
XLogP0.82
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine 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

4-(bromomethyl)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazole
CID 62401616
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222511
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194460
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192341
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide
CID 43401730
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
N-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193895
N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 114268825
N-[[1-[2-(2,3,6-trimethylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 62485328
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine (CID 66193323) is N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2ncc(Cl)n2C)nn1.
What is the InChIKey of N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is VYYVWMFJEKWJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6/c1-3-12-4-8-6-17(15-14-8)7-10-13-5-9(11)16(10)2/h5-6,12H,3-4,7H2,1-2H3.
What are the key properties of N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 254.72 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66193323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).