5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile

C12H17N5 — CID 31535189

IUPAC5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCN(C)CC2)c(C#N)c1C
InChIInChI=1S/C12H17N5/c1-9-10(2)14-15-12(11(9)8-13)17-6-4-16(3)5-7-17/h4-7H2,1-3H3
InChIKeyCBAZYTBPSRTRRB-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.72
Rot. Bonds1

About 5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile

5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile (PubChem CID 31535189) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile
PubChem CID31535189
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCN(C)CC2)c(C#N)c1C
InChIInChI=1S/C12H17N5/c1-9-10(2)14-15-12(11(9)8-13)17-6-4-16(3)5-7-17/h4-7H2,1-3H3
InChIKeyCBAZYTBPSRTRRB-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile (CID 31535189) is 5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile is Cc1nnc(N2CCN(C)CC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is CBAZYTBPSRTRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-10(2)14-15-12(11(9)8-13)17-6-4-16(3)5-7-17/h4-7H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 31535189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).