2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide

C12H17N3O2 — CID 122278444

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C12H17N3O2/c1-2-7-13-11(16)8-15-12(17)6-5-10(14-15)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3,(H,13,16)
InChIKeyKUAJEXFCXWHBMT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.65
Rot. Bonds5

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide (PubChem CID 122278444) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide
PubChem CID122278444
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C12H17N3O2/c1-2-7-13-11(16)8-15-12(17)6-5-10(14-15)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3,(H,13,16)
InChIKeyKUAJEXFCXWHBMT-UHFFFAOYSA-N
XLogP0.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 122278125
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 122278467
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 122278422
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(6-ethoxy-3-pyridinyl)methyl]acetamide
CID 122278642
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylpropanamide
CID 122277842
4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 122277960
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 122278018
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 122278568

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide (CID 122278444) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide is CCCNC(=O)Cn1nc(C2CC2)ccc1=O.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide?
The InChIKey is KUAJEXFCXWHBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-7-13-11(16)8-15-12(17)6-5-10(14-15)9-3-4-9/h5-6,9H,2-4,7-8H2,1H3,(H,13,16).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide has a molecular weight of 235.29 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide is sourced from PubChem (CID 122278444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).