N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide

C8H6N4O2 — CID 20730148

IUPACN-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide
SMILESC=NC(=O)C(=O)/N=C1\C=CC(=C)N=N1
InChIInChI=1S/C8H6N4O2/c1-5-3-4-6(12-11-5)10-8(14)7(13)9-2/h3-4H,1-2H2/b10-6+
InChIKeyDIUCSAMVOFZULZ-UXBLZVDNSA-N
MW190.16 g/mol
LogP0.67
Rot. Bonds

About N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide

N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide (PubChem CID 20730148) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide.

Molecular Properties

Compound NameN-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide
PubChem CID20730148
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC NameN-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide
SMILESC=NC(=O)C(=O)/N=C1\C=CC(=C)N=N1
InChIInChI=1S/C8H6N4O2/c1-5-3-4-6(12-11-5)10-8(14)7(13)9-2/h3-4H,1-2H2/b10-6+
InChIKeyDIUCSAMVOFZULZ-UXBLZVDNSA-N
XLogP0.67
TPSA83.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide?
The IUPAC name of N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide (CID 20730148) is N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide.
What is the SMILES notation for N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide?
The canonical SMILES for N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide is C=NC(=O)C(=O)/N=C1\C=CC(=C)N=N1.
What is the InChIKey of N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide?
The InChIKey is DIUCSAMVOFZULZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H6N4O2/c1-5-3-4-6(12-11-5)10-8(14)7(13)9-2/h3-4H,1-2H2/b10-6+.
What are the key properties of N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide?
N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide has a molecular weight of 190.16 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-(6-methylidenepyridazin-3-ylidene)oxamide is sourced from PubChem (CID 20730148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).