N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine

C13H23N5 — CID 62547013

IUPACN-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
SMILESCNCc1ccc(N(C)C2CCCN(C)C2)nn1
InChIInChI=1S/C13H23N5/c1-14-9-11-6-7-13(16-15-11)18(3)12-5-4-8-17(2)10-12/h6-7,12,14H,4-5,8-10H2,1-3H3
InChIKeyHPMKLEAKQMFSPJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.73
Rot. Bonds4

About N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine

N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine (PubChem CID 62547013) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
PubChem CID62547013
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
SMILESCNCc1ccc(N(C)C2CCCN(C)C2)nn1
InChIInChI=1S/C13H23N5/c1-14-9-11-6-7-13(16-15-11)18(3)12-5-4-8-17(2)10-12/h6-7,12,14H,4-5,8-10H2,1-3H3
InChIKeyHPMKLEAKQMFSPJ-UHFFFAOYSA-N
XLogP0.73
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine (CID 62547013) is N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine is CNCc1ccc(N(C)C2CCCN(C)C2)nn1.
What is the InChIKey of N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine?
The InChIKey is HPMKLEAKQMFSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-14-9-11-6-7-13(16-15-11)18(3)12-5-4-8-17(2)10-12/h6-7,12,14H,4-5,8-10H2,1-3H3.
What are the key properties of N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine?
N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine has a molecular weight of 249.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine is sourced from PubChem (CID 62547013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).