2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one

C15H24N4O2 — CID 114397411

IUPAC2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CCNC1CCOCC1
InChIInChI=1S/C15H24N4O2/c20-15-11-14(18-6-1-2-7-18)12-17-19(15)8-5-16-13-3-9-21-10-4-13/h11-13,16H,1-10H2
InChIKeyNBSKTDHQHPLEAA-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.61
Rot. Bonds5

About 2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114397411) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114397411
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CCNC1CCOCC1
InChIInChI=1S/C15H24N4O2/c20-15-11-14(18-6-1-2-7-18)12-17-19(15)8-5-16-13-3-9-21-10-4-13/h11-13,16H,1-10H2
InChIKeyNBSKTDHQHPLEAA-UHFFFAOYSA-N
XLogP0.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397471
5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397688
2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397506
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397548
2-[2-(2-methylbutan-2-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397416
5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
CID 114397515
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397054
5-morpholin-4-yl-2-(2-piperidin-4-ylethyl)pyridazin-3-one
CID 105061198

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 114397411) is 2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one is O=c1cc(N2CCCC2)cnn1CCNC1CCOCC1.
What is the InChIKey of 2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is NBSKTDHQHPLEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-15-11-14(18-6-1-2-7-18)12-17-19(15)8-5-16-13-3-9-21-10-4-13/h11-13,16H,1-10H2.
What are the key properties of 2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114397411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).