N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine

C12H11BrClN3 — CID 63271712

IUPACN-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(Nc2ccc(Br)cc2)c1C
InChIInChI=1S/C12H11BrClN3/c1-7-8(2)12(17-16-11(7)14)15-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,15,17)
InChIKeyPPWLNRUIXYVSHO-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.25
Rot. Bonds2

About N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine

N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine (PubChem CID 63271712) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine
PubChem CID63271712
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC NameN-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(Nc2ccc(Br)cc2)c1C
InChIInChI=1S/C12H11BrClN3/c1-7-8(2)12(17-16-11(7)14)15-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,15,17)
InChIKeyPPWLNRUIXYVSHO-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine?
The IUPAC name of N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine (CID 63271712) is N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine is Cc1c(Cl)nnc(Nc2ccc(Br)cc2)c1C.
What is the InChIKey of N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine?
The InChIKey is PPWLNRUIXYVSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-7-8(2)12(17-16-11(7)14)15-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,15,17).
What are the key properties of N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine?
N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine has a molecular weight of 312.60 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 63271712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).