2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide

C9H12N4O2 — CID 84675948

IUPAC2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide
SMILESNC(=O)Cn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C9H12N4O2/c10-8(14)5-13-9(15)3-7(4-11-13)12-6-1-2-6/h3-4,6,12H,1-2,5H2,(H2,10,14)
InChIKeyFKNZKILFBGCGFS-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.70
Rot. Bonds4

About 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide

2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide (PubChem CID 84675948) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide
PubChem CID84675948
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide
SMILESNC(=O)Cn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C9H12N4O2/c10-8(14)5-13-9(15)3-7(4-11-13)12-6-1-2-6/h3-4,6,12H,1-2,5H2,(H2,10,14)
InChIKeyFKNZKILFBGCGFS-UHFFFAOYSA-N
XLogP-0.70
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide (CID 84675948) is 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide is NC(=O)Cn1ncc(NC2CC2)cc1=O.
What is the InChIKey of 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is FKNZKILFBGCGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-8(14)5-13-9(15)3-7(4-11-13)12-6-1-2-6/h3-4,6,12H,1-2,5H2,(H2,10,14).
What are the key properties of 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide?
2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 208.22 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 84675948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).