[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone

C14H22N4O — CID 109111959

IUPAC[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CCNc1ccc(C(=O)N2CCCC2)nn1
InChIInChI=1S/C14H22N4O/c1-11(2)7-8-15-13-6-5-12(16-17-13)14(19)18-9-3-4-10-18/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17)
InChIKeyVBVFXZKJCPMDIH-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.17
Rot. Bonds5

About [6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone

[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109111959) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID109111959
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CCNc1ccc(C(=O)N2CCCC2)nn1
InChIInChI=1S/C14H22N4O/c1-11(2)7-8-15-13-6-5-12(16-17-13)14(19)18-9-3-4-10-18/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17)
InChIKeyVBVFXZKJCPMDIH-UHFFFAOYSA-N
XLogP2.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(3-methylbutylamino)pyridazin-3-yl]methanone
CID 109123993
[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182598
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-(3-methylbutylamino)pyridazin-3-yl]methanone
CID 109124705
(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109111042
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348
(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109110976
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112658
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone (CID 109111959) is [6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone is CC(C)CCNc1ccc(C(=O)N2CCCC2)nn1.
What is the InChIKey of [6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VBVFXZKJCPMDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(2)7-8-15-13-6-5-12(16-17-13)14(19)18-9-3-4-10-18/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17).
What are the key properties of [6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 262.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109111959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).