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

C13H20N4O2 — CID 64581169

IUPAC[6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1ccc(C(=O)N2CCC(COC)C2)nn1
InChIInChI=1S/C13H20N4O2/c1-3-14-12-5-4-11(15-16-12)13(18)17-7-6-10(8-17)9-19-2/h4-5,10H,3,6-9H2,1-2H3,(H,14,16)
InChIKeyXTGYRBWBMBPOCW-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.02
Rot. Bonds5

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

[6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 64581169) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID64581169
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1ccc(C(=O)N2CCC(COC)C2)nn1
InChIInChI=1S/C13H20N4O2/c1-3-14-12-5-4-11(15-16-12)13(18)17-7-6-10(8-17)9-19-2/h4-5,10H,3,6-9H2,1-2H3,(H,14,16)
InChIKeyXTGYRBWBMBPOCW-UHFFFAOYSA-N
XLogP1.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538464
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058
[6-(ethylamino)pyridazin-3-yl]-(2-ethylmorpholin-4-yl)methanone
CID 62168371
6-(ethylamino)-N-[(1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide
CID 62178776
(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518
[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone
CID 62204390
6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 64598709
3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 103337557
[6-(ethylamino)pyridazin-3-yl]-(1,4-thiazepan-4-yl)methanone
CID 62177814
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588815
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 64583564
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62889950

Frequently Asked Questions

What is the IUPAC name of [6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 64581169) is [6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is CCNc1ccc(C(=O)N2CCC(COC)C2)nn1.
What is the InChIKey of [6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XTGYRBWBMBPOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-14-12-5-4-11(15-16-12)13(18)17-7-6-10(8-17)9-19-2/h4-5,10H,3,6-9H2,1-2H3,(H,14,16).
What are the key properties of [6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
[6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 264.33 g/mol, XLogP of 1.02, 5 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-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 64581169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).