5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile

C18H26N6O2 — CID 133279892

IUPAC5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCN(C(C)C(=O)N3CCOCC3)CC2)c(C#N)c1C
InChIInChI=1S/C18H26N6O2/c1-13-14(2)20-21-17(16(13)12-19)23-6-4-22(5-7-23)15(3)18(25)24-8-10-26-11-9-24/h15H,4-11H2,1-3H3
InChIKeyDQYRAFWMZDGIDB-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.33
Rot. Bonds3

About 5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile

5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile (PubChem CID 133279892) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
PubChem CID133279892
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCN(C(C)C(=O)N3CCOCC3)CC2)c(C#N)c1C
InChIInChI=1S/C18H26N6O2/c1-13-14(2)20-21-17(16(13)12-19)23-6-4-22(5-7-23)15(3)18(25)24-8-10-26-11-9-24/h15H,4-11H2,1-3H3
InChIKeyDQYRAFWMZDGIDB-UHFFFAOYSA-N
XLogP0.33
TPSA85.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile (CID 133279892) is 5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile is Cc1nnc(N2CCN(C(C)C(=O)N3CCOCC3)CC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is DQYRAFWMZDGIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13-14(2)20-21-17(16(13)12-19)23-6-4-22(5-7-23)15(3)18(25)24-8-10-26-11-9-24/h15H,4-11H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 358.45 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133279892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).