3-(dipropylamino)pyridazine-4-carbonitrile

C11H16N4 — CID 80508670

IUPAC3-(dipropylamino)pyridazine-4-carbonitrile
SMILESCCCN(CCC)c1nnccc1C#N
InChIInChI=1S/C11H16N4/c1-3-7-15(8-4-2)11-10(9-12)5-6-13-14-11/h5-6H,3-4,7-8H2,1-2H3
InChIKeyKRNUNUCOZPUNKC-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.97
Rot. Bonds5

About 3-(dipropylamino)pyridazine-4-carbonitrile

3-(dipropylamino)pyridazine-4-carbonitrile (PubChem CID 80508670) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-(dipropylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(dipropylamino)pyridazine-4-carbonitrile
PubChem CID80508670
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3-(dipropylamino)pyridazine-4-carbonitrile
SMILESCCCN(CCC)c1nnccc1C#N
InChIInChI=1S/C11H16N4/c1-3-7-15(8-4-2)11-10(9-12)5-6-13-14-11/h5-6H,3-4,7-8H2,1-2H3
InChIKeyKRNUNUCOZPUNKC-UHFFFAOYSA-N
XLogP1.97
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(dipropylamino)pyridazine-4-carbonitrile (CID 80508670) is 3-(dipropylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(dipropylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(dipropylamino)pyridazine-4-carbonitrile is CCCN(CCC)c1nnccc1C#N.
What is the InChIKey of 3-(dipropylamino)pyridazine-4-carbonitrile?
The InChIKey is KRNUNUCOZPUNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-7-15(8-4-2)11-10(9-12)5-6-13-14-11/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(dipropylamino)pyridazine-4-carbonitrile?
3-(dipropylamino)pyridazine-4-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80508670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).