methyl-(6-methylpyridazin-3-yl)cyanamide

C7H8N4 — CID 45088192

IUPACmethyl-(6-methylpyridazin-3-yl)cyanamide
SMILESCc1ccc(N(C)C#N)nn1
InChIInChI=1S/C7H8N4/c1-6-3-4-7(10-9-6)11(2)5-8/h3-4H,1-2H3
InChIKeyAHEXPMFTMZVENX-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.70
Rot. Bonds1

About methyl-(6-methylpyridazin-3-yl)cyanamide

methyl-(6-methylpyridazin-3-yl)cyanamide (PubChem CID 45088192) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is methyl-(6-methylpyridazin-3-yl)cyanamide.

Molecular Properties

Compound Namemethyl-(6-methylpyridazin-3-yl)cyanamide
PubChem CID45088192
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Namemethyl-(6-methylpyridazin-3-yl)cyanamide
SMILESCc1ccc(N(C)C#N)nn1
InChIInChI=1S/C7H8N4/c1-6-3-4-7(10-9-6)11(2)5-8/h3-4H,1-2H3
InChIKeyAHEXPMFTMZVENX-UHFFFAOYSA-N
XLogP0.70
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(6-methylpyridazin-3-yl)cyanamide?
The IUPAC name of methyl-(6-methylpyridazin-3-yl)cyanamide (CID 45088192) is methyl-(6-methylpyridazin-3-yl)cyanamide.
What is the SMILES notation for methyl-(6-methylpyridazin-3-yl)cyanamide?
The canonical SMILES for methyl-(6-methylpyridazin-3-yl)cyanamide is Cc1ccc(N(C)C#N)nn1.
What is the InChIKey of methyl-(6-methylpyridazin-3-yl)cyanamide?
The InChIKey is AHEXPMFTMZVENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-6-3-4-7(10-9-6)11(2)5-8/h3-4H,1-2H3.
What are the key properties of methyl-(6-methylpyridazin-3-yl)cyanamide?
methyl-(6-methylpyridazin-3-yl)cyanamide has a molecular weight of 148.17 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(6-methylpyridazin-3-yl)cyanamide is sourced from PubChem (CID 45088192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).