N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide

C13H23N5O — CID 103718413

IUPACN-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCCN(C)C(C)C)nn1
InChIInChI=1S/C13H23N5O/c1-10(2)18(4)9-5-8-15-12-7-6-11(16-17-12)13(19)14-3/h6-7,10H,5,8-9H2,1-4H3,(H,14,19)(H,15,17)
InChIKeyXZASEJHLXQMSGZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.98
Rot. Bonds7

About N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide

N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide (PubChem CID 103718413) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
PubChem CID103718413
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCCN(C)C(C)C)nn1
InChIInChI=1S/C13H23N5O/c1-10(2)18(4)9-5-8-15-12-7-6-11(16-17-12)13(19)14-3/h6-7,10H,5,8-9H2,1-4H3,(H,14,19)(H,15,17)
InChIKeyXZASEJHLXQMSGZ-UHFFFAOYSA-N
XLogP0.98
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050253
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide
CID 103858516
6-[2-[ethyl(methyl)amino]ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207290
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111167
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide
CID 114248384
6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050158
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide (CID 103718413) is N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide is CNC(=O)c1ccc(NCCCN(C)C(C)C)nn1.
What is the InChIKey of N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide?
The InChIKey is XZASEJHLXQMSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10(2)18(4)9-5-8-15-12-7-6-11(16-17-12)13(19)14-3/h6-7,10H,5,8-9H2,1-4H3,(H,14,19)(H,15,17).
What are the key properties of N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide?
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 103718413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).