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

C11H12N6O — CID 103744374

IUPAC5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCc2ncno2)c(C#N)c1C
InChIInChI=1S/C11H12N6O/c1-7-8(2)16-17-11(9(7)5-12)13-4-3-10-14-6-15-18-10/h6H,3-4H2,1-2H3,(H,13,17)
InChIKeyCKDNVQHREJRERZ-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.00
Rot. Bonds4

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

5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile (PubChem CID 103744374) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile
PubChem CID103744374
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCc2ncno2)c(C#N)c1C
InChIInChI=1S/C11H12N6O/c1-7-8(2)16-17-11(9(7)5-12)13-4-3-10-14-6-15-18-10/h6H,3-4H2,1-2H3,(H,13,17)
InChIKeyCKDNVQHREJRERZ-UHFFFAOYSA-N
XLogP1.00
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 103744395
5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211
3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535380
5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile
CID 78998795
6-N,5-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106412081
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine
CID 103744317
5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile
CID 36722480
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36723585
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535408
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile (CID 103744374) is 5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile is Cc1nnc(NCCc2ncno2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is CKDNVQHREJRERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-7-8(2)16-17-11(9(7)5-12)13-4-3-10-14-6-15-18-10/h6H,3-4H2,1-2H3,(H,13,17).
What are the key properties of 5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 244.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 103744374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).