4-bromo-6-chloro-N-methylpyridazin-3-amine

C5H5BrClN3 — CID 119005578

IUPAC4-bromo-6-chloro-N-methylpyridazin-3-amine
SMILESCNc1nnc(Cl)cc1Br
InChIInChI=1S/C5H5BrClN3/c1-8-5-3(6)2-4(7)9-10-5/h2H,1H3,(H,8,10)
InChIKeyDDRIRBNMXHXSAX-UHFFFAOYSA-N
MW222.47 g/mol
LogP1.93
Rot. Bonds1

About 4-bromo-6-chloro-N-methylpyridazin-3-amine

4-bromo-6-chloro-N-methylpyridazin-3-amine (PubChem CID 119005578) has the molecular formula C5H5BrClN3 and a molecular weight of 222.47 g/mol. Its IUPAC name is 4-bromo-6-chloro-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name4-bromo-6-chloro-N-methylpyridazin-3-amine
PubChem CID119005578
Molecular FormulaC5H5BrClN3
Molecular Weight222.47 g/mol
Exact Mass220.94
IUPAC Name4-bromo-6-chloro-N-methylpyridazin-3-amine
SMILESCNc1nnc(Cl)cc1Br
InChIInChI=1S/C5H5BrClN3/c1-8-5-3(6)2-4(7)9-10-5/h2H,1H3,(H,8,10)
InChIKeyDDRIRBNMXHXSAX-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-N-methylpyridazin-3-amine?
The IUPAC name of 4-bromo-6-chloro-N-methylpyridazin-3-amine (CID 119005578) is 4-bromo-6-chloro-N-methylpyridazin-3-amine.
What is the SMILES notation for 4-bromo-6-chloro-N-methylpyridazin-3-amine?
The canonical SMILES for 4-bromo-6-chloro-N-methylpyridazin-3-amine is CNc1nnc(Cl)cc1Br.
What is the InChIKey of 4-bromo-6-chloro-N-methylpyridazin-3-amine?
The InChIKey is DDRIRBNMXHXSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrClN3/c1-8-5-3(6)2-4(7)9-10-5/h2H,1H3,(H,8,10).
What are the key properties of 4-bromo-6-chloro-N-methylpyridazin-3-amine?
4-bromo-6-chloro-N-methylpyridazin-3-amine has a molecular weight of 222.47 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-N-methylpyridazin-3-amine is sourced from PubChem (CID 119005578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).