N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide

C8H12N6O2 — CID 62242878

IUPACN-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(NN)nn1)C(N)=O
InChIInChI=1S/C8H12N6O2/c1-4(7(9)15)11-8(16)5-2-3-6(12-10)14-13-5/h2-4H,10H2,1H3,(H2,9,15)(H,11,16)(H,12,14)
InChIKeyRVMXEFUEGGHOIR-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.63
Rot. Bonds4

About N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide

N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide (PubChem CID 62242878) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide
PubChem CID62242878
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(NN)nn1)C(N)=O
InChIInChI=1S/C8H12N6O2/c1-4(7(9)15)11-8(16)5-2-3-6(12-10)14-13-5/h2-4H,10H2,1H3,(H2,9,15)(H,11,16)(H,12,14)
InChIKeyRVMXEFUEGGHOIR-UHFFFAOYSA-N
XLogP-1.63
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-(1-methoxypropan-2-yl)pyridazine-3-carboxamide
CID 62236681
N-[1-(diethylamino)propan-2-yl]-6-hydrazinylpyridazine-3-carboxamide
CID 55050979
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 62241752
6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide
CID 106283109
6-hydrazinyl-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 62237645
N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62247886
N-(1-amino-1-oxopropan-2-yl)-2-hydrazinylpyridine-4-carboxamide
CID 62242876
6-hydrazinyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide
CID 64688702
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridazine-3-carboxamide
CID 62235642
6-hydrazinyl-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 62236502
N-(1-cyclohexylpropyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62407615
6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide
CID 107590030

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide (CID 62242878) is N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide is CC(NC(=O)c1ccc(NN)nn1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide?
The InChIKey is RVMXEFUEGGHOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2/c1-4(7(9)15)11-8(16)5-2-3-6(12-10)14-13-5/h2-4H,10H2,1H3,(H2,9,15)(H,11,16)(H,12,14).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide is sourced from PubChem (CID 62242878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).