6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide

C12H21N5O — CID 79207291

IUPAC6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCCCN(C)C)nn1
InChIInChI=1S/C12H21N5O/c1-13-12(18)10-6-7-11(16-15-10)14-8-4-5-9-17(2)3/h6-7H,4-5,8-9H2,1-3H3,(H,13,18)(H,14,16)
InChIKeyLVSXUNAUUCCZJJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.59
Rot. Bonds7

About 6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide

6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 79207291) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
PubChem CID79207291
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCCCN(C)C)nn1
InChIInChI=1S/C12H21N5O/c1-13-12(18)10-6-7-11(16-15-10)14-8-4-5-9-17(2)3/h6-7H,4-5,8-9H2,1-3H3,(H,13,18)(H,14,16)
InChIKeyLVSXUNAUUCCZJJ-UHFFFAOYSA-N
XLogP0.59
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.59
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-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
6-[2-[ethyl(methyl)amino]ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207290
6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111167
N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115946
6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide
CID 114248384
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide (CID 79207291) is 6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCCCCN(C)C)nn1.
What is the InChIKey of 6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is LVSXUNAUUCCZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-13-12(18)10-6-7-11(16-15-10)14-8-4-5-9-17(2)3/h6-7H,4-5,8-9H2,1-3H3,(H,13,18)(H,14,16).
What are the key properties of 6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide?
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 79207291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).