3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine

C9H15N3O — CID 70656050

IUPAC3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
SMILESCOCCCNCc1cccnn1
InChIInChI=1S/C9H15N3O/c1-13-7-3-5-10-8-9-4-2-6-11-12-9/h2,4,6,10H,3,5,7-8H2,1H3
InChIKeyDAEBUQYBCHKSQN-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.60
Rot. Bonds6

About 3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine

3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine (PubChem CID 70656050) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
PubChem CID70656050
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
SMILESCOCCCNCc1cccnn1
InChIInChI=1S/C9H15N3O/c1-13-7-3-5-10-8-9-4-2-6-11-12-9/h2,4,6,10H,3,5,7-8H2,1H3
InChIKeyDAEBUQYBCHKSQN-UHFFFAOYSA-N
XLogP0.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl[(pyridazin-3-yl)methyl]amine dihydrochloride
CID 122164401
3-{[(2S)-2-methylpiperazin-1-yl]methyl}pyridazine trihydrochloride
CID 167727728
3-Piperidin-2-ylpyridazine
CID 90893541
N-Methyl-1-(pyridazin-3-yl)methanamine
CID 20607227
(2R)-1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine
CID 163382869
Morpholine;3-(trifluoromethyl)pyridazine
CID 164536914
1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine
CID 167085255
3-{[(2S)-2-methylpiperazin-1-yl]methyl}pyridazine
CID 167718168
3-[[(2R)-2-(fluoromethyl)piperazin-1-yl]methyl]pyridazine
CID 176160660
3-[[2-(Fluoromethyl)piperazin-1-yl]methyl]pyridazine
CID 176160676
3-[[(2R)-2-(difluoromethyl)piperazin-1-yl]methyl]pyridazine
CID 176160678
2,2,2-trifluoroethyl N-(pyridazin-3-ylmethyl)carbamate
CID 106832066

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine (CID 70656050) is 3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine is COCCCNCc1cccnn1.
What is the InChIKey of 3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine?
The InChIKey is DAEBUQYBCHKSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-13-7-3-5-10-8-9-4-2-6-11-12-9/h2,4,6,10H,3,5,7-8H2,1H3.
What are the key properties of 3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine?
3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 70656050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).