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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Related Compounds

N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 36724137
3-(2-Ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 42949502
5,6-Dimethyl-3-(2-methylmorpholin-4-yl)pyridazine-4-carbonitrile
CID 45872193
5,6-Dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 47054754
3-[2-[(Dimethylamino)methyl]morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 53599004
[1-(4-Cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 56805190
[1-(4-Cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
CID 56805197
3-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 56817331
1-(6-Methylpyridazin-3-yl)piperidine-4-carbonitrile
CID 86261783
3-(4-Acetylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535262
5,6-Dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 31536408
3-[2-(Azepan-1-yl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 32878096

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).