2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide

C9H11N5O2 — CID 103218171

IUPAC2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C9H11N5O2/c10-2-1-3-12-8(15)6-14-9(16)4-7(11)5-13-14/h4-5H,1,3,6,11H2,(H,12,15)
InChIKeyQJHPBXGRZPHXFP-UHFFFAOYSA-N
MW221.22 g/mol
LogP-1.14
Rot. Bonds4

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

2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide (PubChem CID 103218171) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide
PubChem CID103218171
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C9H11N5O2/c10-2-1-3-12-8(15)6-14-9(16)4-7(11)5-13-14/h4-5H,1,3,6,11H2,(H,12,15)
InChIKeyQJHPBXGRZPHXFP-UHFFFAOYSA-N
XLogP-1.14
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531
2-(4-amino-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103218361
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103218675
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219116
2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219530
2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219931
2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293
2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220641
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221221
2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221646
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223469
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223681

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide (CID 103218171) is 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)Cn1ncc(N)cc1=O.
What is the InChIKey of 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide?
The InChIKey is QJHPBXGRZPHXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c10-2-1-3-12-8(15)6-14-9(16)4-7(11)5-13-14/h4-5H,1,3,6,11H2,(H,12,15).
What are the key properties of 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide?
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide has a molecular weight of 221.22 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 103218171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).