methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide

C10H9N5 — CID 116973807

IUPACmethyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide
SMILESCN(C#N)c1ccc(-c2ccc[nH]2)nn1
InChIInChI=1S/C10H9N5/c1-15(7-11)10-5-4-9(13-14-10)8-3-2-6-12-8/h2-6,12H,1H3
InChIKeyYWUXMKVHYROMMF-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.39
Rot. Bonds2

About methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide

methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide (PubChem CID 116973807) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide.

Molecular Properties

Compound Namemethyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide
PubChem CID116973807
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Namemethyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide
SMILESCN(C#N)c1ccc(-c2ccc[nH]2)nn1
InChIInChI=1S/C10H9N5/c1-15(7-11)10-5-4-9(13-14-10)8-3-2-6-12-8/h2-6,12H,1H3
InChIKeyYWUXMKVHYROMMF-UHFFFAOYSA-N
XLogP1.39
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
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-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide?
The IUPAC name of methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide (CID 116973807) is methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide.
What is the SMILES notation for methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide?
The canonical SMILES for methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide is CN(C#N)c1ccc(-c2ccc[nH]2)nn1.
What is the InChIKey of methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide?
The InChIKey is YWUXMKVHYROMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-15(7-11)10-5-4-9(13-14-10)8-3-2-6-12-8/h2-6,12H,1H3.
What are the key properties of methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide?
methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide has a molecular weight of 199.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]cyanamide is sourced from PubChem (CID 116973807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).