2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium

C8H15N4O+ — CID 168824389

IUPAC2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
SMILESC[NH+](C)CCn1nc(N)ccc1=O
InChIInChI=1S/C8H14N4O/c1-11(2)5-6-12-8(13)4-3-7(9)10-12/h3-4H,5-6H2,1-2H3,(H2,9,10)/p+1
InChIKeyJXKSPRMAFPCODN-UHFFFAOYSA-O
MW183.24 g/mol
LogP-2.03
Rot. Bonds3

About 2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium

2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium (PubChem CID 168824389) has the molecular formula C8H15N4O+ and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium.

Molecular Properties

Compound Name2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
PubChem CID168824389
Molecular FormulaC8H15N4O+
Molecular Weight183.24 g/mol
Exact Mass183.12
IUPAC Name2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
SMILESC[NH+](C)CCn1nc(N)ccc1=O
InChIInChI=1S/C8H14N4O/c1-11(2)5-6-12-8(13)4-3-7(9)10-12/h3-4H,5-6H2,1-2H3,(H2,9,10)/p+1
InChIKeyJXKSPRMAFPCODN-UHFFFAOYSA-O
XLogP-2.03
TPSA65.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 5-2.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium?
The IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium (CID 168824389) is 2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium.
What is the SMILES notation for 2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium?
The canonical SMILES for 2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium is C[NH+](C)CCn1nc(N)ccc1=O.
What is the InChIKey of 2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium?
The InChIKey is JXKSPRMAFPCODN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N4O/c1-11(2)5-6-12-8(13)4-3-7(9)10-12/h3-4H,5-6H2,1-2H3,(H2,9,10)/p+1.
What are the key properties of 2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium?
2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium has a molecular weight of 183.24 g/mol, XLogP of -2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium is sourced from PubChem (CID 168824389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).