N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine

C14H17BrN4O — CID 116973250

IUPACN'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(Br)cc1-c1ccc(N(C)CCN)nn1
InChIInChI=1S/C14H17BrN4O/c1-19(8-7-16)14-6-4-12(17-18-14)11-9-10(15)3-5-13(11)20-2/h3-6,9H,7-8,16H2,1-2H3
InChIKeyKCULOIRKQLWBPK-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.31
Rot. Bonds5

About N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine

N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine (PubChem CID 116973250) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
PubChem CID116973250
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC NameN'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(Br)cc1-c1ccc(N(C)CCN)nn1
InChIInChI=1S/C14H17BrN4O/c1-19(8-7-16)14-6-4-12(17-18-14)11-9-10(15)3-5-13(11)20-2/h3-6,9H,7-8,16H2,1-2H3
InChIKeyKCULOIRKQLWBPK-UHFFFAOYSA-N
XLogP2.31
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892702
N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973259
2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
CID 116892562
3-N-(5-bromo-2-methoxyphenyl)-3-N-methylbutane-1,3-diamine
CID 117040232
1-(5-bromo-2-methoxyphenyl)-N-butyl-N-methylethane-1,2-diamine
CID 43141158
2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82308142
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
3-N-[(5-bromo-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040347
(1S)-1-(5-bromo-2-methoxyphenyl)pentane-1,5-diamine
CID 171221124
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226195
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967629

Frequently Asked Questions

What is the IUPAC name of N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine (CID 116973250) is N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine is COc1ccc(Br)cc1-c1ccc(N(C)CCN)nn1.
What is the InChIKey of N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine?
The InChIKey is KCULOIRKQLWBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-19(8-7-16)14-6-4-12(17-18-14)11-9-10(15)3-5-13(11)20-2/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine?
N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine has a molecular weight of 337.22 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 116973250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).