2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one

C13H22N4O — CID 114394906

IUPAC2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCNC2CC2)c(=O)c1
InChIInChI=1S/C13H22N4O/c1-3-16(4-2)12-9-13(18)17(15-10-12)8-7-14-11-5-6-11/h9-11,14H,3-8H2,1-2H3
InChIKeyKWCWWIAAXTVAIN-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds7

About 2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one

2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one (PubChem CID 114394906) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
PubChem CID114394906
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCNC2CC2)c(=O)c1
InChIInChI=1S/C13H22N4O/c1-3-16(4-2)12-9-13(18)17(15-10-12)8-7-14-11-5-6-11/h9-11,14H,3-8H2,1-2H3
InChIKeyKWCWWIAAXTVAIN-UHFFFAOYSA-N
XLogP0.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397688
2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114397665
5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397471
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-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 114397695
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
2-[3-(cyclopropylamino)propyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394769
2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one
CID 114397134

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one (CID 114394906) is 2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one is CCN(CC)c1cnn(CCNC2CC2)c(=O)c1.
What is the InChIKey of 2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one?
The InChIKey is KWCWWIAAXTVAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-16(4-2)12-9-13(18)17(15-10-12)8-7-14-11-5-6-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one?
2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one has a molecular weight of 250.35 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one is sourced from PubChem (CID 114394906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).