1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine

C12H17BrN6 — CID 106465124

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine
SMILESCCc1nnc(C)cc1C(NC)c1c(Br)nnn1C
InChIInChI=1S/C12H17BrN6/c1-5-9-8(6-7(2)15-16-9)10(14-3)11-12(13)17-18-19(11)4/h6,10,14H,5H2,1-4H3
InChIKeyPYQSEHKXOINROF-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.55
Rot. Bonds4

About 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine

1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine (PubChem CID 106465124) has the molecular formula C12H17BrN6 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine
PubChem CID106465124
Molecular FormulaC12H17BrN6
Molecular Weight325.21 g/mol
Exact Mass324.07
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine
SMILESCCc1nnc(C)cc1C(NC)c1c(Br)nnn1C
InChIInChI=1S/C12H17BrN6/c1-5-9-8(6-7(2)15-16-9)10(14-3)11-12(13)17-18-19(11)4/h6,10,14H,5H2,1-4H3
InChIKeyPYQSEHKXOINROF-UHFFFAOYSA-N
XLogP1.55
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine 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-bromo-1-methylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]hydrazine
CID 105342273
1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 106464716
1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093671
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159579
N-[(5-bromo-3-methyltriazol-4-yl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 106465154
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105182928
N-[(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 106465134
N-[(5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 106465075
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 106464914
N-[(5-bromo-3-methyltriazol-4-yl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 106465382
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 106462299
N-[(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106462267

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine (CID 106465124) is 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine is CCc1nnc(C)cc1C(NC)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine?
The InChIKey is PYQSEHKXOINROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN6/c1-5-9-8(6-7(2)15-16-9)10(14-3)11-12(13)17-18-19(11)4/h6,10,14H,5H2,1-4H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine?
1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine has a molecular weight of 325.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 106465124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).