3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid

C14H15N3O4 — CID 114393814

IUPAC3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C14H15N3O4/c18-12-7-11(16-4-1-2-5-16)8-15-17(12)9-10-3-6-21-13(10)14(19)20/h3,6-8H,1-2,4-5,9H2,(H,19,20)
InChIKeySVJZXRSCNVXUPP-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.18
Rot. Bonds4

About 3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid

3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 114393814) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID114393814
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C14H15N3O4/c18-12-7-11(16-4-1-2-5-16)8-15-17(12)9-10-3-6-21-13(10)14(19)20/h3,6-8H,1-2,4-5,9H2,(H,19,20)
InChIKeySVJZXRSCNVXUPP-UHFFFAOYSA-N
XLogP1.18
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid
CID 114394039
2-[(2-chloro-3-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395520
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 43447565
2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395515
3-[(4-oxopiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61345549
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396351
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 72930044
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzylpyridazin-3-one
CID 53202307
3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153189

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid (CID 114393814) is 3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid is O=C(O)c1occc1Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is SVJZXRSCNVXUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-12-7-11(16-4-1-2-5-16)8-15-17(12)9-10-3-6-21-13(10)14(19)20/h3,6-8H,1-2,4-5,9H2,(H,19,20).
What are the key properties of 3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid?
3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 114393814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).