3-(butylamino)pyridazine-4-carbonitrile

C9H12N4 — CID 46848638

IUPAC3-(butylamino)pyridazine-4-carbonitrile
SMILESCCCCNc1nnccc1C#N
InChIInChI=1S/C9H12N4/c1-2-3-5-11-9-8(7-10)4-6-12-13-9/h4,6H,2-3,5H2,1H3,(H,11,13)
InChIKeyQFDJWBXXQVDRHE-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.56
Rot. Bonds4

About 3-(butylamino)pyridazine-4-carbonitrile

3-(butylamino)pyridazine-4-carbonitrile (PubChem CID 46848638) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(butylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(butylamino)pyridazine-4-carbonitrile
PubChem CID46848638
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-(butylamino)pyridazine-4-carbonitrile
SMILESCCCCNc1nnccc1C#N
InChIInChI=1S/C9H12N4/c1-2-3-5-11-9-8(7-10)4-6-12-13-9/h4,6H,2-3,5H2,1H3,(H,11,13)
InChIKeyQFDJWBXXQVDRHE-UHFFFAOYSA-N
XLogP1.56
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(butylamino)pyridazine-4-carbonitrile (CID 46848638) is 3-(butylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(butylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(butylamino)pyridazine-4-carbonitrile is CCCCNc1nnccc1C#N.
What is the InChIKey of 3-(butylamino)pyridazine-4-carbonitrile?
The InChIKey is QFDJWBXXQVDRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-3-5-11-9-8(7-10)4-6-12-13-9/h4,6H,2-3,5H2,1H3,(H,11,13).
What are the key properties of 3-(butylamino)pyridazine-4-carbonitrile?
3-(butylamino)pyridazine-4-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 46848638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).