N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide

C11H16N6O2 — CID 103223655

IUPACN-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
SMILESCNCCNc1cnn(CC(=O)NCC#N)c(=O)c1
InChIInChI=1S/C11H16N6O2/c1-13-4-5-14-9-6-11(19)17(16-7-9)8-10(18)15-3-2-12/h6-7,13-14H,3-5,8H2,1H3,(H,15,18)
InChIKeyGDRISCPOMLGTHC-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.49
Rot. Bonds7

About N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide

N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide (PubChem CID 103223655) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
PubChem CID103223655
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC NameN-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
SMILESCNCCNc1cnn(CC(=O)NCC#N)c(=O)c1
InChIInChI=1S/C11H16N6O2/c1-13-4-5-14-9-6-11(19)17(16-7-9)8-10(18)15-3-2-12/h6-7,13-14H,3-5,8H2,1H3,(H,15,18)
InChIKeyGDRISCPOMLGTHC-UHFFFAOYSA-N
XLogP-1.49
TPSA111.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223616
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103223627
N-(cyanomethyl)-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
CID 114553441
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101
N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide
CID 103220247
5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 103223530
2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103223592
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103218568
5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one
CID 107067032

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide (CID 103223655) is N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide is CNCCNc1cnn(CC(=O)NCC#N)c(=O)c1.
What is the InChIKey of N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide?
The InChIKey is GDRISCPOMLGTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-13-4-5-14-9-6-11(19)17(16-7-9)8-10(18)15-3-2-12/h6-7,13-14H,3-5,8H2,1H3,(H,15,18).
What are the key properties of N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide?
N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 264.29 g/mol, XLogP of -1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 103223655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).