N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine

C11H16BrN3 — CID 80679554

IUPACN-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine
SMILESCc1ccc(N(C)CC2CC(Br)C2)nn1
InChIInChI=1S/C11H16BrN3/c1-8-3-4-11(14-13-8)15(2)7-9-5-10(12)6-9/h3-4,9-10H,5-7H2,1-2H3
InChIKeyHXWVNYBBJHMDJN-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.39
Rot. Bonds3

About N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine

N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine (PubChem CID 80679554) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine
PubChem CID80679554
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC NameN-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine
SMILESCc1ccc(N(C)CC2CC(Br)C2)nn1
InChIInChI=1S/C11H16BrN3/c1-8-3-4-11(14-13-8)15(2)7-9-5-10(12)6-9/h3-4,9-10H,5-7H2,1-2H3
InChIKeyHXWVNYBBJHMDJN-UHFFFAOYSA-N
XLogP2.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine (CID 80679554) is N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine is Cc1ccc(N(C)CC2CC(Br)C2)nn1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine?
The InChIKey is HXWVNYBBJHMDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-3-4-11(14-13-8)15(2)7-9-5-10(12)6-9/h3-4,9-10H,5-7H2,1-2H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine?
N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine has a molecular weight of 270.17 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine is sourced from PubChem (CID 80679554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).