2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one

C14H17N3O4 — CID 114397080

IUPAC2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1Cc1ccc(CO)o1
InChIInChI=1S/C14H17N3O4/c18-10-13-2-1-12(21-13)9-17-14(19)7-11(8-15-17)16-3-5-20-6-4-16/h1-2,7-8,18H,3-6,9-10H2
InChIKeyYFCKZGXZIOTDDU-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.21
Rot. Bonds4

About 2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one

2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 114397080) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID114397080
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1Cc1ccc(CO)o1
InChIInChI=1S/C14H17N3O4/c18-10-13-2-1-12(21-13)9-17-14(19)7-11(8-15-17)16-3-5-20-6-4-16/h1-2,7-8,18H,3-6,9-10H2
InChIKeyYFCKZGXZIOTDDU-UHFFFAOYSA-N
XLogP0.21
TPSA80.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
CID 107705269
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
2-(3,3-dimethyl-2-oxobutyl)-5-morpholin-4-ylpyridazin-3-one
CID 114396109
2-[(5-bromo-2-pyridinyl)methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114396906
5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
CID 114398871
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide
CID 114395789
2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397506
2-[(1-ethylimidazol-2-yl)methyl]-5-morpholin-4-ylpyridazin-3-one
CID 45240872
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one
CID 72853241
2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide
CID 114396751

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one (CID 114397080) is 2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one is O=c1cc(N2CCOCC2)cnn1Cc1ccc(CO)o1.
What is the InChIKey of 2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is YFCKZGXZIOTDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-10-13-2-1-12(21-13)9-17-14(19)7-11(8-15-17)16-3-5-20-6-4-16/h1-2,7-8,18H,3-6,9-10H2.
What are the key properties of 2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 291.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 114397080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).