4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine

C12H20N4O — CID 80508887

IUPAC4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
SMILESCN(CC1CCCCO1)c1nnccc1CN
InChIInChI=1S/C12H20N4O/c1-16(9-11-4-2-3-7-17-11)12-10(8-13)5-6-14-15-12/h5-6,11H,2-4,7-9,13H2,1H3
InChIKeyOVQMVPOQEZIPDE-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.94
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine

4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine (PubChem CID 80508887) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
PubChem CID80508887
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
SMILESCN(CC1CCCCO1)c1nnccc1CN
InChIInChI=1S/C12H20N4O/c1-16(9-11-4-2-3-7-17-11)12-10(8-13)5-6-14-15-12/h5-6,11H,2-4,7-9,13H2,1H3
InChIKeyOVQMVPOQEZIPDE-UHFFFAOYSA-N
XLogP0.94
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine 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 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine (CID 80508887) is 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine is CN(CC1CCCCO1)c1nnccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine?
The InChIKey is OVQMVPOQEZIPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16(9-11-4-2-3-7-17-11)12-10(8-13)5-6-14-15-12/h5-6,11H,2-4,7-9,13H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine?
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine has a molecular weight of 236.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 80508887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).