6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide

C13H23N5O — CID 109110589

IUPAC6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)NCCN(C)C)nn1
InChIInChI=1S/C13H23N5O/c1-4-5-8-14-12-7-6-11(16-17-12)13(19)15-9-10-18(2)3/h6-7H,4-5,8-10H2,1-3H3,(H,14,17)(H,15,19)
InChIKeyJPGYCTXWMUAQBQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.98
Rot. Bonds8

About 6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide

6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide (PubChem CID 109110589) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
PubChem CID109110589
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)NCCN(C)C)nn1
InChIInChI=1S/C13H23N5O/c1-4-5-8-14-12-7-6-11(16-17-12)13(19)15-9-10-18(2)3/h6-7H,4-5,8-10H2,1-3H3,(H,14,17)(H,15,19)
InChIKeyJPGYCTXWMUAQBQ-UHFFFAOYSA-N
XLogP0.98
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
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
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007
6-[2-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111165
6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115423
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide (CID 109110589) is 6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide is CCCCNc1ccc(C(=O)NCCN(C)C)nn1.
What is the InChIKey of 6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The InChIKey is JPGYCTXWMUAQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-5-8-14-12-7-6-11(16-17-12)13(19)15-9-10-18(2)3/h6-7H,4-5,8-10H2,1-3H3,(H,14,17)(H,15,19).
What are the key properties of 6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109110589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).