3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine

C9H16N4O — CID 63760393

IUPAC3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine
SMILESCOCC(N)CN(C)c1cccnn1
InChIInChI=1S/C9H16N4O/c1-13(6-8(10)7-14-2)9-4-3-5-11-12-9/h3-5,8H,6-7,10H2,1-2H3
InChIKeyWTTTZFFNVCLQHG-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.11
Rot. Bonds5

About 3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine

3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine (PubChem CID 63760393) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine
PubChem CID63760393
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine
SMILESCOCC(N)CN(C)c1cccnn1
InChIInChI=1S/C9H16N4O/c1-13(6-8(10)7-14-2)9-4-3-5-11-12-9/h3-5,8H,6-7,10H2,1-2H3
InChIKeyWTTTZFFNVCLQHG-UHFFFAOYSA-N
XLogP-0.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine (CID 63760393) is 3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine is COCC(N)CN(C)c1cccnn1.
What is the InChIKey of 3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine?
The InChIKey is WTTTZFFNVCLQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13(6-8(10)7-14-2)9-4-3-5-11-12-9/h3-5,8H,6-7,10H2,1-2H3.
What are the key properties of 3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine?
3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine has a molecular weight of 196.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-methyl-1-N-pyridazin-3-ylpropane-1,2-diamine is sourced from PubChem (CID 63760393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).