3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile

C13H19N5 — CID 80509834

IUPAC3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
SMILESCCC(C)N1CCN(c2nnccc2C#N)CC1
InChIInChI=1S/C13H19N5/c1-3-11(2)17-6-8-18(9-7-17)13-12(10-14)4-5-15-16-13/h4-5,11H,3,6-9H2,1-2H3
InChIKeyOHPIXPQTCWUAIP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.27
Rot. Bonds3

About 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile

3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile (PubChem CID 80509834) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
PubChem CID80509834
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
SMILESCCC(C)N1CCN(c2nnccc2C#N)CC1
InChIInChI=1S/C13H19N5/c1-3-11(2)17-6-8-18(9-7-17)13-12(10-14)4-5-15-16-13/h4-5,11H,3,6-9H2,1-2H3
InChIKeyOHPIXPQTCWUAIP-UHFFFAOYSA-N
XLogP1.27
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile (CID 80509834) is 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile is CCC(C)N1CCN(c2nnccc2C#N)CC1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is OHPIXPQTCWUAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-11(2)17-6-8-18(9-7-17)13-12(10-14)4-5-15-16-13/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile?
3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).