2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide

C9H14N4O2 — CID 103218318

IUPAC2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C9H14N4O2/c1-6(2)12-8(14)5-13-9(15)3-7(10)4-11-13/h3-4,6H,5,10H2,1-2H3,(H,12,14)
InChIKeyUBYCLPORHUMHNH-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.65
Rot. Bonds3

About 2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide

2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide (PubChem CID 103218318) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide
PubChem CID103218318
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C9H14N4O2/c1-6(2)12-8(14)5-13-9(15)3-7(10)4-11-13/h3-4,6H,5,10H2,1-2H3,(H,12,14)
InChIKeyUBYCLPORHUMHNH-UHFFFAOYSA-N
XLogP-0.65
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide (CID 103218318) is 2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1ncc(N)cc1=O.
What is the InChIKey of 2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is UBYCLPORHUMHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6(2)12-8(14)5-13-9(15)3-7(10)4-11-13/h3-4,6H,5,10H2,1-2H3,(H,12,14).
What are the key properties of 2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide?
2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 210.24 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 103218318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).