2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one

C13H17N5O2 — CID 114393487

IUPAC2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CCn2cc(N)ccc2=O)c(=O)c1
InChIInChI=1S/C13H17N5O2/c1-16(2)11-7-13(20)18(15-8-11)6-5-17-9-10(14)3-4-12(17)19/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeyYLNFONWFKLSRGA-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.25
Rot. Bonds4

About 2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one

2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 114393487) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID114393487
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CCn2cc(N)ccc2=O)c(=O)c1
InChIInChI=1S/C13H17N5O2/c1-16(2)11-7-13(20)18(15-8-11)6-5-17-9-10(14)3-4-12(17)19/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeyYLNFONWFKLSRGA-UHFFFAOYSA-N
XLogP-0.25
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one
CID 114393508
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462
2-[(4-amino-2-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393483
2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393496
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
CID 28871573
5-amino-1-[3-(dimethylamino)propyl]pyridin-2-one
CID 43259607
5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one
CID 114397467
5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one
CID 114397466
2-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114396336
5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one
CID 62001808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one (CID 114393487) is 2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CCn2cc(N)ccc2=O)c(=O)c1.
What is the InChIKey of 2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is YLNFONWFKLSRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-16(2)11-7-13(20)18(15-8-11)6-5-17-9-10(14)3-4-12(17)19/h3-4,7-9H,5-6,14H2,1-2H3.
What are the key properties of 2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one?
2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 275.31 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114393487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).