3-(propylamino)pyridazine-4-carbonitrile

C8H10N4 — CID 46848637

IUPAC3-(propylamino)pyridazine-4-carbonitrile
SMILESCCCNc1nnccc1C#N
InChIInChI=1S/C8H10N4/c1-2-4-10-8-7(6-9)3-5-11-12-8/h3,5H,2,4H2,1H3,(H,10,12)
InChIKeyBFTPIMLVSYYYQJ-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.17
Rot. Bonds3

About 3-(propylamino)pyridazine-4-carbonitrile

3-(propylamino)pyridazine-4-carbonitrile (PubChem CID 46848637) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-(propylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(propylamino)pyridazine-4-carbonitrile
PubChem CID46848637
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3-(propylamino)pyridazine-4-carbonitrile
SMILESCCCNc1nnccc1C#N
InChIInChI=1S/C8H10N4/c1-2-4-10-8-7(6-9)3-5-11-12-8/h3,5H,2,4H2,1H3,(H,10,12)
InChIKeyBFTPIMLVSYYYQJ-UHFFFAOYSA-N
XLogP1.17
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(propylamino)pyridazine-4-carbonitrile (CID 46848637) is 3-(propylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(propylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(propylamino)pyridazine-4-carbonitrile is CCCNc1nnccc1C#N.
What is the InChIKey of 3-(propylamino)pyridazine-4-carbonitrile?
The InChIKey is BFTPIMLVSYYYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-2-4-10-8-7(6-9)3-5-11-12-8/h3,5H,2,4H2,1H3,(H,10,12).
What are the key properties of 3-(propylamino)pyridazine-4-carbonitrile?
3-(propylamino)pyridazine-4-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 46848637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).