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

C9H16N4O — CID 106182176

IUPAC3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine
SMILESCOCC(CN)Nc1cc(C)cnn1
InChIInChI=1S/C9H16N4O/c1-7-3-9(13-11-5-7)12-8(4-10)6-14-2/h3,5,8H,4,6,10H2,1-2H3,(H,12,13)
InChIKeyWUUQWXQUNSBARC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.17
Rot. Bonds5

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

3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine (PubChem CID 106182176) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine
PubChem CID106182176
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine
SMILESCOCC(CN)Nc1cc(C)cnn1
InChIInChI=1S/C9H16N4O/c1-7-3-9(13-11-5-7)12-8(4-10)6-14-2/h3,5,8H,4,6,10H2,1-2H3,(H,12,13)
InChIKeyWUUQWXQUNSBARC-UHFFFAOYSA-N
XLogP0.17
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-N-(5-methylpyridazin-3-yl)pentane-1,2-diamine
CID 106550178
1-cyclopropyl-N-(5-methylpyridazin-3-yl)ethane-1,2-diamine
CID 106550192
3-methoxy-2-N-(6-methoxypyrazin-2-yl)propane-1,2-diamine
CID 106181983
5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine
CID 106549990
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine
CID 106181686
N-(1-ethoxypropan-2-yl)-5-methylpyridazin-3-amine
CID 106549675
3-[(5-methylpyridazin-3-yl)amino]pentan-1-ol
CID 106549992
2-N-(6-ethoxypyrazin-2-yl)-3-methoxypropane-1,2-diamine
CID 106182379
3-methoxy-2-N-(6-propan-2-yloxypyrazin-2-yl)propane-1,2-diamine
CID 114154990
5-methyl-N-(5-methylhexan-2-yl)pyridazin-3-amine
CID 106549770
3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
CID 114154931
3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine
CID 106182027

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine (CID 106182176) is 3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine is COCC(CN)Nc1cc(C)cnn1.
What is the InChIKey of 3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine?
The InChIKey is WUUQWXQUNSBARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-3-9(13-11-5-7)12-8(4-10)6-14-2/h3,5,8H,4,6,10H2,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine?
3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 106182176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).