[5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine

C13H20N4 — CID 114459754

IUPAC[5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine
SMILESCC1=CCN(c2nnc(C)c(C)c2CN)CC1
InChIInChI=1S/C13H20N4/c1-9-4-6-17(7-5-9)13-12(8-14)10(2)11(3)15-16-13/h4H,5-8,14H2,1-3H3
InChIKeyMVJQNFNARWWWOG-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.71
Rot. Bonds2

About [5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine

[5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine (PubChem CID 114459754) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is [5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine
PubChem CID114459754
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name[5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine
SMILESCC1=CCN(c2nnc(C)c(C)c2CN)CC1
InChIInChI=1S/C13H20N4/c1-9-4-6-17(7-5-9)13-12(8-14)10(2)11(3)15-16-13/h4H,5-8,14H2,1-3H3
InChIKeyMVJQNFNARWWWOG-UHFFFAOYSA-N
XLogP1.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine (CID 114459754) is [5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine is CC1=CCN(c2nnc(C)c(C)c2CN)CC1.
What is the InChIKey of [5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine?
The InChIKey is MVJQNFNARWWWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9-4-6-17(7-5-9)13-12(8-14)10(2)11(3)15-16-13/h4H,5-8,14H2,1-3H3.
What are the key properties of [5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine?
[5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine has a molecular weight of 232.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 114459754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).