[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone

C12H18N4O2 — CID 103538464

IUPAC[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCC(OC)C2)nn1
InChIInChI=1S/C12H18N4O2/c1-3-13-11-5-4-10(14-15-11)12(17)16-7-6-9(8-16)18-2/h4-5,9H,3,6-8H2,1-2H3,(H,13,15)
InChIKeyDNBRIDKIBJGVQH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.77
Rot. Bonds4

About [6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone

[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 103538464) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is [6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID103538464
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCC(OC)C2)nn1
InChIInChI=1S/C12H18N4O2/c1-3-13-11-5-4-10(14-15-11)12(17)16-7-6-9(8-16)18-2/h4-5,9H,3,6-8H2,1-2H3,(H,13,15)
InChIKeyDNBRIDKIBJGVQH-UHFFFAOYSA-N
XLogP0.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64581169
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058
(3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone
CID 102969358
[6-(ethylamino)pyridazin-3-yl]-(2-ethylmorpholin-4-yl)methanone
CID 62168371
[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538392
(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518
[4-(ethylamino)-6-methyl-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538368
[6-(ethylamino)pyridazin-3-yl]-(1,4-thiazepan-4-yl)methanone
CID 62177814
6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 103536805
(5-hydrazinyl-2-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103538701
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62889950
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935

Frequently Asked Questions

What is the IUPAC name of [6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of [6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone (CID 103538464) is [6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for [6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone is CCNc1ccc(C(=O)N2CCC(OC)C2)nn1.
What is the InChIKey of [6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is DNBRIDKIBJGVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-13-11-5-4-10(14-15-11)12(17)16-7-6-9(8-16)18-2/h4-5,9H,3,6-8H2,1-2H3,(H,13,15).
What are the key properties of [6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone?
[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 103538464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).