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

C13H23N5O — CID 106050253

IUPAC6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)NCCCN(C)C(C)C)nn1
InChIInChI=1S/C13H23N5O/c1-10(2)18(4)9-5-8-15-13(19)11-6-7-12(14-3)17-16-11/h6-7,10H,5,8-9H2,1-4H3,(H,14,17)(H,15,19)
InChIKeyYXIZCHCLJPXTAG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.98
Rot. Bonds7

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

6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide (PubChem CID 106050253) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
PubChem CID106050253
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)NCCCN(C)C(C)C)nn1
InChIInChI=1S/C13H23N5O/c1-10(2)18(4)9-5-8-15-13(19)11-6-7-12(14-3)17-16-11/h6-7,10H,5,8-9H2,1-4H3,(H,14,17)(H,15,19)
InChIKeyYXIZCHCLJPXTAG-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-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050158
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050169
N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474
3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050247
6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide
CID 55101967
5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050159
N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide
CID 130504947
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007
2-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106050180
6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide
CID 62989713

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide (CID 106050253) is 6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide is CNc1ccc(C(=O)NCCCN(C)C(C)C)nn1.
What is the InChIKey of 6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide?
The InChIKey is YXIZCHCLJPXTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10(2)18(4)9-5-8-15-13(19)11-6-7-12(14-3)17-16-11/h6-7,10H,5,8-9H2,1-4H3,(H,14,17)(H,15,19).
What are the key properties of 6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide?
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]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 6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 106050253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).