3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile

C16H26N4 — CID 80510443

IUPAC3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)C(C)C(C)(C)C)c(C#N)c1CC
InChIInChI=1S/C16H26N4/c1-8-12-13(10-17)15(19-18-14(12)9-2)20(7)11(3)16(4,5)6/h11H,8-9H2,1-7H3
InChIKeyOJVCZNVRZHEKNF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.34
Rot. Bonds4

About 3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile

3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80510443) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80510443
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)C(C)C(C)(C)C)c(C#N)c1CC
InChIInChI=1S/C16H26N4/c1-8-12-13(10-17)15(19-18-14(12)9-2)20(7)11(3)16(4,5)6/h11H,8-9H2,1-7H3
InChIKeyOJVCZNVRZHEKNF-UHFFFAOYSA-N
XLogP3.34
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile (CID 80510443) is 3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(N(C)C(C)C(C)(C)C)c(C#N)c1CC.
What is the InChIKey of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is OJVCZNVRZHEKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-8-12-13(10-17)15(19-18-14(12)9-2)20(7)11(3)16(4,5)6/h11H,8-9H2,1-7H3.
What are the key properties of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 274.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80510443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).