3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile

C12H17N5 — CID 114536895

IUPAC3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile
SMILESCC1CN(c2nnccc2C#N)CC(C)N1C
InChIInChI=1S/C12H17N5/c1-9-7-17(8-10(2)16(9)3)12-11(6-13)4-5-14-15-12/h4-5,9-10H,7-8H2,1-3H3
InChIKeyGXIKJHAQGUHYBL-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.88
Rot. Bonds1

About 3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile

3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile (PubChem CID 114536895) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile
PubChem CID114536895
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile
SMILESCC1CN(c2nnccc2C#N)CC(C)N1C
InChIInChI=1S/C12H17N5/c1-9-7-17(8-10(2)16(9)3)12-11(6-13)4-5-14-15-12/h4-5,9-10H,7-8H2,1-3H3
InChIKeyGXIKJHAQGUHYBL-UHFFFAOYSA-N
XLogP0.88
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile (CID 114536895) is 3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile is CC1CN(c2nnccc2C#N)CC(C)N1C.
What is the InChIKey of 3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is GXIKJHAQGUHYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-7-17(8-10(2)16(9)3)12-11(6-13)4-5-14-15-12/h4-5,9-10H,7-8H2,1-3H3.
What are the key properties of 3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile?
3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 114536895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).