[6-(4-propylphenyl)pyridazin-3-yl]cyanamide

C14H14N4 — CID 116971705

IUPAC[6-(4-propylphenyl)pyridazin-3-yl]cyanamide
SMILESCCCc1ccc(-c2ccc(NC#N)nn2)cc1
InChIInChI=1S/C14H14N4/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16-10-15)18-17-13/h4-9H,2-3H2,1H3,(H,16,18)
InChIKeyDMKGBVKGWMVQPZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.99
Rot. Bonds4

About [6-(4-propylphenyl)pyridazin-3-yl]cyanamide

[6-(4-propylphenyl)pyridazin-3-yl]cyanamide (PubChem CID 116971705) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is [6-(4-propylphenyl)pyridazin-3-yl]cyanamide.

Molecular Properties

Compound Name[6-(4-propylphenyl)pyridazin-3-yl]cyanamide
PubChem CID116971705
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name[6-(4-propylphenyl)pyridazin-3-yl]cyanamide
SMILESCCCc1ccc(-c2ccc(NC#N)nn2)cc1
InChIInChI=1S/C14H14N4/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16-10-15)18-17-13/h4-9H,2-3H2,1H3,(H,16,18)
InChIKeyDMKGBVKGWMVQPZ-UHFFFAOYSA-N
XLogP2.99
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.99
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 [6-(4-propylphenyl)pyridazin-3-yl]cyanamide?
The IUPAC name of [6-(4-propylphenyl)pyridazin-3-yl]cyanamide (CID 116971705) is [6-(4-propylphenyl)pyridazin-3-yl]cyanamide.
What is the SMILES notation for [6-(4-propylphenyl)pyridazin-3-yl]cyanamide?
The canonical SMILES for [6-(4-propylphenyl)pyridazin-3-yl]cyanamide is CCCc1ccc(-c2ccc(NC#N)nn2)cc1.
What is the InChIKey of [6-(4-propylphenyl)pyridazin-3-yl]cyanamide?
The InChIKey is DMKGBVKGWMVQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16-10-15)18-17-13/h4-9H,2-3H2,1H3,(H,16,18).
What are the key properties of [6-(4-propylphenyl)pyridazin-3-yl]cyanamide?
[6-(4-propylphenyl)pyridazin-3-yl]cyanamide has a molecular weight of 238.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-propylphenyl)pyridazin-3-yl]cyanamide is sourced from PubChem (CID 116971705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).