2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide

C7H10N4O2 — CID 116788155

IUPAC2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1nc(N)ccc1=O
InChIInChI=1S/C7H10N4O2/c1-9-6(12)4-11-7(13)3-2-5(8)10-11/h2-3H,4H2,1H3,(H2,8,10)(H,9,12)
InChIKeyBWKKRLHLUDPSNT-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.43
Rot. Bonds2

About 2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide

2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide (PubChem CID 116788155) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide
PubChem CID116788155
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1nc(N)ccc1=O
InChIInChI=1S/C7H10N4O2/c1-9-6(12)4-11-7(13)3-2-5(8)10-11/h2-3H,4H2,1H3,(H2,8,10)(H,9,12)
InChIKeyBWKKRLHLUDPSNT-UHFFFAOYSA-N
XLogP-1.43
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide (CID 116788155) is 2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide is CNC(=O)Cn1nc(N)ccc1=O.
What is the InChIKey of 2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide?
The InChIKey is BWKKRLHLUDPSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-9-6(12)4-11-7(13)3-2-5(8)10-11/h2-3H,4H2,1H3,(H2,8,10)(H,9,12).
What are the key properties of 2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide?
2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide has a molecular weight of 182.18 g/mol, XLogP of -1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-oxopyridazin-1-yl)-N-methylacetamide is sourced from PubChem (CID 116788155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).