5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one

C15H26N4O2 — CID 114397688

IUPAC5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(CCNC2CCOCC2)c(=O)c1
InChIInChI=1S/C15H26N4O2/c1-3-18(4-2)14-11-15(20)19(17-12-14)8-7-16-13-5-9-21-10-6-13/h11-13,16H,3-10H2,1-2H3
InChIKeyPYRUWDGPELUWPH-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.86
Rot. Bonds7

About 5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one

5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one (PubChem CID 114397688) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
PubChem CID114397688
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(CCNC2CCOCC2)c(=O)c1
InChIInChI=1S/C15H26N4O2/c1-3-18(4-2)14-11-15(20)19(17-12-14)8-7-16-13-5-9-21-10-6-13/h11-13,16H,3-10H2,1-2H3
InChIKeyPYRUWDGPELUWPH-UHFFFAOYSA-N
XLogP0.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394906
5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397471
2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397411
5-(diethylamino)-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 114397695
2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114397665
5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one
CID 114397706
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 114394996
5-(diethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397680
5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394971
5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 114394941
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one (CID 114397688) is 5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one is CCN(CC)c1cnn(CCNC2CCOCC2)c(=O)c1.
What is the InChIKey of 5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one?
The InChIKey is PYRUWDGPELUWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-18(4-2)14-11-15(20)19(17-12-14)8-7-16-13-5-9-21-10-6-13/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one?
5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one has a molecular weight of 294.40 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114397688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).