N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine

C12H19BrN6 — CID 66193876

IUPACN-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2c(Br)c(C)nn2CC)nn1
InChIInChI=1S/C12H19BrN6/c1-4-14-6-10-7-18(17-15-10)8-11-12(13)9(3)16-19(11)5-2/h7,14H,4-6,8H2,1-3H3
InChIKeyJZXXLZFGUUFUBD-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.72
Rot. Bonds6

About N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine

N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 66193876) has the molecular formula C12H19BrN6 and a molecular weight of 327.23 g/mol. Its IUPAC name is N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
PubChem CID66193876
Molecular FormulaC12H19BrN6
Molecular Weight327.23 g/mol
Exact Mass326.09
IUPAC NameN-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2c(Br)c(C)nn2CC)nn1
InChIInChI=1S/C12H19BrN6/c1-4-14-6-10-7-18(17-15-10)8-11-12(13)9(3)16-19(11)5-2/h7,14H,4-6,8H2,1-3H3
InChIKeyJZXXLZFGUUFUBD-UHFFFAOYSA-N
XLogP1.72
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-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

2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine
CID 116642247
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66206441
N-[[1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193101
N-[[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192534
2-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461479
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562485
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193734
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899626
N-[[1-[(5-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 105374772
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine
CID 79543366
N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 114268825

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine (CID 66193876) is N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2c(Br)c(C)nn2CC)nn1.
What is the InChIKey of N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is JZXXLZFGUUFUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN6/c1-4-14-6-10-7-18(17-15-10)8-11-12(13)9(3)16-19(11)5-2/h7,14H,4-6,8H2,1-3H3.
What are the key properties of N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 327.23 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66193876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).