3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile

C15H23N5 — CID 82994484

IUPAC3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCNC(C)(C)C2)c(C#N)c1CC
InChIInChI=1S/C15H23N5/c1-5-11-12(9-16)14(19-18-13(11)6-2)20-8-7-17-15(3,4)10-20/h17H,5-8,10H2,1-4H3
InChIKeyBLUCVBMZCVGHNO-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.66
Rot. Bonds3

About 3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile

3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 82994484) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
PubChem CID82994484
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCNC(C)(C)C2)c(C#N)c1CC
InChIInChI=1S/C15H23N5/c1-5-11-12(9-16)14(19-18-13(11)6-2)20-8-7-17-15(3,4)10-20/h17H,5-8,10H2,1-4H3
InChIKeyBLUCVBMZCVGHNO-UHFFFAOYSA-N
XLogP1.66
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile (CID 82994484) is 3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(N2CCNC(C)(C)C2)c(C#N)c1CC.
What is the InChIKey of 3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is BLUCVBMZCVGHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-11-12(9-16)14(19-18-13(11)6-2)20-8-7-17-15(3,4)10-20/h17H,5-8,10H2,1-4H3.
What are the key properties of 3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 82994484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).