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

C21H24N6O — CID 133379097

IUPAC5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(c3nc4cc(C)ccc4o3)CC2)c(C#N)c1CC
InChIInChI=1S/C21H24N6O/c1-4-15-16(13-22)20(25-24-17(15)5-2)26-8-10-27(11-9-26)21-23-18-12-14(3)6-7-19(18)28-21/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyLSBZCNXZPMWZHR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.25
Rot. Bonds4

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

5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile (PubChem CID 133379097) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
PubChem CID133379097
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(c3nc4cc(C)ccc4o3)CC2)c(C#N)c1CC
InChIInChI=1S/C21H24N6O/c1-4-15-16(13-22)20(25-24-17(15)5-2)26-8-10-27(11-9-26)21-23-18-12-14(3)6-7-19(18)28-21/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyLSBZCNXZPMWZHR-UHFFFAOYSA-N
XLogP3.25
TPSA82.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133373187
3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373838
3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133378935
5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133359835
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373131
5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 129482170
3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133360239
5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile
CID 133373835
3-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133360096
3-(3,5-dioxopiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80510131
5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole
CID 91643350

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile (CID 133379097) is 5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile is CCc1nnc(N2CCN(c3nc4cc(C)ccc4o3)CC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is LSBZCNXZPMWZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-4-15-16(13-22)20(25-24-17(15)5-2)26-8-10-27(11-9-26)21-23-18-12-14(3)6-7-19(18)28-21/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 376.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133379097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).