N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine

C15H20N4O — CID 106549238

IUPACN'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)c1cc(C)cnn1
InChIInChI=1S/C15H20N4O/c1-12-10-15(18-17-11-12)19(9-5-8-16)13-6-3-4-7-14(13)20-2/h3-4,6-7,10-11H,5,8-9,16H2,1-2H3
InChIKeyHDHNURZVJVBVPQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds6

About N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine

N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine (PubChem CID 106549238) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
PubChem CID106549238
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)c1cc(C)cnn1
InChIInChI=1S/C15H20N4O/c1-12-10-15(18-17-11-12)19(9-5-8-16)13-6-3-4-7-14(13)20-2/h3-4,6-7,10-11H,5,8-9,16H2,1-2H3
InChIKeyHDHNURZVJVBVPQ-UHFFFAOYSA-N
XLogP2.28
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251851
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 79712264
N'-(2-methoxyethyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549268
N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 66340512
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 106875229
N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 28770871
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262674
N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 61481368
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 105366469

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine (CID 106549238) is N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine is COc1ccccc1N(CCCN)c1cc(C)cnn1.
What is the InChIKey of N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
The InChIKey is HDHNURZVJVBVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-10-15(18-17-11-12)19(9-5-8-16)13-6-3-4-7-14(13)20-2/h3-4,6-7,10-11H,5,8-9,16H2,1-2H3.
What are the key properties of N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 106549238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).