6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine

C13H16N8 — CID 133449492

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(NCCn3ccnn3)nn2)n1
InChIInChI=1S/C13H16N8/c1-10-9-11(2)21(18-10)13-4-3-12(16-17-13)14-5-7-20-8-6-15-19-20/h3-4,6,8-9H,5,7H2,1-2H3,(H,14,16)
InChIKeyUNKABIYOPFJLRJ-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.98
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine (PubChem CID 133449492) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
PubChem CID133449492
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(NCCn3ccnn3)nn2)n1
InChIInChI=1S/C13H16N8/c1-10-9-11(2)21(18-10)13-4-3-12(16-17-13)14-5-7-20-8-6-15-19-20/h3-4,6,8-9H,5,7H2,1-2H3,(H,14,16)
InChIKeyUNKABIYOPFJLRJ-UHFFFAOYSA-N
XLogP0.98
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
CID 133449534
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122293156
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122292993
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridazin-3-amine
CID 133444843
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 16654431
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3,4-dimethylbenzamide
CID 16654487
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122293045
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide
CID 122293227
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-fluorobenzamide
CID 16654494
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 122293159
1-(3,5-dimethylphenyl)-3-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654464
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-3-carboxamide
CID 122293107

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine (CID 133449492) is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine is Cc1cc(C)n(-c2ccc(NCCn3ccnn3)nn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine?
The InChIKey is UNKABIYOPFJLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-10-9-11(2)21(18-10)13-4-3-12(16-17-13)14-5-7-20-8-6-15-19-20/h3-4,6,8-9H,5,7H2,1-2H3,(H,14,16).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine has a molecular weight of 284.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 133449492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).