5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile

C17H23N7O — CID 129482170

IUPAC5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(C)[C@H](c3nc(C)no3)C2)c(C#N)c1CC
InChIInChI=1S/C17H23N7O/c1-5-12-13(9-18)16(21-20-14(12)6-2)24-8-7-23(4)15(10-24)17-19-11(3)22-25-17/h15H,5-8,10H2,1-4H3/t15-/m0/s1
InChIKeyAQZAIMIHCVOHMN-HNNXBMFYSA-N
MW341.42 g/mol
LogP1.66
Rot. Bonds4

About 5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile

5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile (PubChem CID 129482170) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile
PubChem CID129482170
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(C)[C@H](c3nc(C)no3)C2)c(C#N)c1CC
InChIInChI=1S/C17H23N7O/c1-5-12-13(9-18)16(21-20-14(12)6-2)24-8-7-23(4)15(10-24)17-19-11(3)22-25-17/h15H,5-8,10H2,1-4H3/t15-/m0/s1
InChIKeyAQZAIMIHCVOHMN-HNNXBMFYSA-N
XLogP1.66
TPSA94.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-difluoro-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]benzonitrile
CID 128977795
3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
5-[(2S)-4-(3,6-dimethylpyrazin-2-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129482979
3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80515008
5-[(2S)-4-(3,5-dichloro-2-pyridinyl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129491457
5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129483087
5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine
CID 129482195
5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129485828
3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133359923
5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133379097
3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373838
5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 133363785

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile (CID 129482170) is 5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile is CCc1nnc(N2CCN(C)[C@H](c3nc(C)no3)C2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is AQZAIMIHCVOHMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-5-12-13(9-18)16(21-20-14(12)6-2)24-8-7-23(4)15(10-24)17-19-11(3)22-25-17/h15H,5-8,10H2,1-4H3/t15-/m0/s1.
What are the key properties of 5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 341.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 129482170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).