3,4-dimethylpyridazine;isocyanic acid

C8H10N4O2 — CID 175351982

IUPAC3,4-dimethylpyridazine;isocyanic acid
SMILESCc1ccnnc1C.N=C=O.N=C=O
InChIInChI=1S/C6H8N2.2CHNO/c1-5-3-4-7-8-6(5)2;2*2-1-3/h3-4H,1-2H3;2*2H
InChIKeyFTPVWQLQQAFHJA-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.90
Rot. Bonds

About 3,4-dimethylpyridazine;isocyanic acid

3,4-dimethylpyridazine;isocyanic acid (PubChem CID 175351982) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3,4-dimethylpyridazine;isocyanic acid.

Molecular Properties

Compound Name3,4-dimethylpyridazine;isocyanic acid
PubChem CID175351982
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name3,4-dimethylpyridazine;isocyanic acid
SMILESCc1ccnnc1C.N=C=O.N=C=O
InChIInChI=1S/C6H8N2.2CHNO/c1-5-3-4-7-8-6(5)2;2*2-1-3/h3-4H,1-2H3;2*2H
InChIKeyFTPVWQLQQAFHJA-UHFFFAOYSA-N
XLogP0.90
TPSA107.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyridazine;isocyanic acid?
The IUPAC name of 3,4-dimethylpyridazine;isocyanic acid (CID 175351982) is 3,4-dimethylpyridazine;isocyanic acid.
What is the SMILES notation for 3,4-dimethylpyridazine;isocyanic acid?
The canonical SMILES for 3,4-dimethylpyridazine;isocyanic acid is Cc1ccnnc1C.N=C=O.N=C=O.
What is the InChIKey of 3,4-dimethylpyridazine;isocyanic acid?
The InChIKey is FTPVWQLQQAFHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.2CHNO/c1-5-3-4-7-8-6(5)2;2*2-1-3/h3-4H,1-2H3;2*2H.
What are the key properties of 3,4-dimethylpyridazine;isocyanic acid?
3,4-dimethylpyridazine;isocyanic acid has a molecular weight of 194.19 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyridazine;isocyanic acid is sourced from PubChem (CID 175351982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).