2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide

C8H9N5O2 — CID 116788161

IUPAC2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cn1nc(N)ccc1=O
InChIInChI=1S/C8H9N5O2/c9-3-4-11-7(14)5-13-8(15)2-1-6(10)12-13/h1-2H,4-5H2,(H2,10,12)(H,11,14)
InChIKeyGGNPOCAQPWLEDZ-UHFFFAOYSA-N
MW207.19 g/mol
LogP-1.53
Rot. Bonds3

About 2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide

2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide (PubChem CID 116788161) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide
PubChem CID116788161
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cn1nc(N)ccc1=O
InChIInChI=1S/C8H9N5O2/c9-3-4-11-7(14)5-13-8(15)2-1-6(10)12-13/h1-2H,4-5H2,(H2,10,12)(H,11,14)
InChIKeyGGNPOCAQPWLEDZ-UHFFFAOYSA-N
XLogP-1.53
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116788169
6-Amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 116788154
N-ethyl-2-(6-oxopyridazin-1-yl)acetamide
CID 131201227
2-(3-bromo-6-oxopyridazin-1-yl)-N-ethylacetamide
CID 153582892
N-ethyl-2-(6-oxo-3-trimethylstannylpyridazin-1-yl)acetamide
CID 168762775
2-(3-Amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
CID 168824389
6-Amino-2-[2-(methylamino)ethyl]pyridazin-3-one
CID 169960725
N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide
CID 170969724
2-(6-oxopyridazin-1(6H)-yl)-N-(2-(6-oxopyridazin-1(6H)-yl)ethyl)acetamide
CID 45548873
2-(3-chloro-6-oxopyridazin-1(6H)-yl)-N-(2-(dimethylamino)ethyl)acetamide
CID 52903193
2-oxo-N-(6-oxo-1H-pyridazin-3-yl)-2-piperazin-1-ylacetamide
CID 113563983
2-(3-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 113564083

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide (CID 116788161) is 2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide is N#CCNC(=O)Cn1nc(N)ccc1=O.
What is the InChIKey of 2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide?
The InChIKey is GGNPOCAQPWLEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c9-3-4-11-7(14)5-13-8(15)2-1-6(10)12-13/h1-2H,4-5H2,(H2,10,12)(H,11,14).
What are the key properties of 2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide?
2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide has a molecular weight of 207.19 g/mol, XLogP of -1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-oxopyridazin-1-yl)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 116788161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).