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

C17H23N7O — CID 56799937

IUPAC5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCN(Cc3nc(C(C)C)no3)CC2)c(C#N)c1C
InChIInChI=1S/C17H23N7O/c1-11(2)16-19-15(25-22-16)10-23-5-7-24(8-6-23)17-14(9-18)12(3)13(4)20-21-17/h11H,5-8,10H2,1-4H3
InChIKeyYHVLFIMMLNKLAI-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.79
Rot. Bonds4

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

5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile (PubChem CID 56799937) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile
PubChem CID56799937
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCN(Cc3nc(C(C)C)no3)CC2)c(C#N)c1C
InChIInChI=1S/C17H23N7O/c1-11(2)16-19-15(25-22-16)10-23-5-7-24(8-6-23)17-14(9-18)12(3)13(4)20-21-17/h11H,5-8,10H2,1-4H3
InChIKeyYHVLFIMMLNKLAI-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile (CID 56799937) is 5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile is Cc1nnc(N2CCN(Cc3nc(C(C)C)no3)CC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is YHVLFIMMLNKLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-11(2)16-19-15(25-22-16)10-23-5-7-24(8-6-23)17-14(9-18)12(3)13(4)20-21-17/h11H,5-8,10H2,1-4H3.
What are the key properties of 5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 341.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 56799937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).