6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide

C12H20N4O2 — CID 113450833

IUPAC6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCOC(C)C)nn1
InChIInChI=1S/C12H20N4O2/c1-4-13-11-6-5-10(15-16-11)12(17)14-7-8-18-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyZCRHUMPZLFLLBR-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.06
Rot. Bonds7

About 6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide

6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide (PubChem CID 113450833) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide
PubChem CID113450833
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCOC(C)C)nn1
InChIInChI=1S/C12H20N4O2/c1-4-13-11-6-5-10(15-16-11)12(17)14-7-8-18-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyZCRHUMPZLFLLBR-UHFFFAOYSA-N
XLogP1.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.06
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-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62177406
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62166382
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridazine-3-carboxamide
CID 55047399
2-(ethylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450457
6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide
CID 106342396
6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
N-[2-[cyclopropyl(methyl)amino]ethyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 55142201
6-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridazine-3-carboxamide
CID 79756979
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
N-(3-methoxy-2-methylpropyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62174819
2-ethyl-6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 104765567

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide (CID 113450833) is 6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide is CCNc1ccc(C(=O)NCCOC(C)C)nn1.
What is the InChIKey of 6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide?
The InChIKey is ZCRHUMPZLFLLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-13-11-6-5-10(15-16-11)12(17)14-7-8-18-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide?
6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 113450833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).