propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate

C14H21N3O4 — CID 114394176

IUPACpropan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate
SMILESCOC1CCN(c2cnn(CC(=O)OC(C)C)c(=O)c2)C1
InChIInChI=1S/C14H21N3O4/c1-10(2)21-14(19)9-17-13(18)6-11(7-15-17)16-5-4-12(8-16)20-3/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyZVQCHNBHSREGAM-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.42
Rot. Bonds5

About propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate

propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate (PubChem CID 114394176) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate
PubChem CID114394176
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namepropan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate
SMILESCOC1CCN(c2cnn(CC(=O)OC(C)C)c(=O)c2)C1
InChIInChI=1S/C14H21N3O4/c1-10(2)21-14(19)9-17-13(18)6-11(7-15-17)16-5-4-12(8-16)20-3/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyZVQCHNBHSREGAM-UHFFFAOYSA-N
XLogP0.42
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-hydroxybutyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114396739
2-(5-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114397171
methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate
CID 114394179
2-[(2R)-2-aminopropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 104920927
2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 114394188
2-(3-amino-2-methylpropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114393796
2-(3-bromopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114394487
2-[2-(chloromethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 103065891
5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819951
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114397337
potassium trifluoro-[[4-(4-methoxypiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398775
5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 114396319

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate (CID 114394176) is propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate is COC1CCN(c2cnn(CC(=O)OC(C)C)c(=O)c2)C1.
What is the InChIKey of propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate?
The InChIKey is ZVQCHNBHSREGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(2)21-14(19)9-17-13(18)6-11(7-15-17)16-5-4-12(8-16)20-3/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate?
propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate has a molecular weight of 295.34 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate is sourced from PubChem (CID 114394176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).