2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide

C9H12N4O2 — CID 103218211

IUPAC2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide
SMILESNc1cnn(CC(=O)NC2CC2)c(=O)c1
InChIInChI=1S/C9H12N4O2/c10-6-3-9(15)13(11-4-6)5-8(14)12-7-1-2-7/h3-4,7H,1-2,5,10H2,(H,12,14)
InChIKeyWIRDJONWBOQIST-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.90
Rot. Bonds3

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

2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide (PubChem CID 103218211) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide
PubChem CID103218211
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide
SMILESNc1cnn(CC(=O)NC2CC2)c(=O)c1
InChIInChI=1S/C9H12N4O2/c10-6-3-9(15)13(11-4-6)5-8(14)12-7-1-2-7/h3-4,7H,1-2,5,10H2,(H,12,14)
InChIKeyWIRDJONWBOQIST-UHFFFAOYSA-N
XLogP-0.90
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.90
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-cyclopropylacetamide?
The IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide (CID 103218211) is 2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide is Nc1cnn(CC(=O)NC2CC2)c(=O)c1.
What is the InChIKey of 2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide?
The InChIKey is WIRDJONWBOQIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-6-3-9(15)13(11-4-6)5-8(14)12-7-1-2-7/h3-4,7H,1-2,5,10H2,(H,12,14).
What are the key properties of 2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide?
2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide has a molecular weight of 208.22 g/mol, XLogP of -0.90, 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-cyclopropylacetamide is sourced from PubChem (CID 103218211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).