3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

C16H18N4 — CID 60732000

IUPAC3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCN(Cc1ccccc1)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C16H18N4/c1-4-20(11-14-8-6-5-7-9-14)16-15(10-17)12(2)13(3)18-19-16/h5-9H,4,11H2,1-3H3
InChIKeyASQNPTIHCXUEEY-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.99
Rot. Bonds4

About 3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 60732000) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID60732000
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCN(Cc1ccccc1)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C16H18N4/c1-4-20(11-14-8-6-5-7-9-14)16-15(10-17)12(2)13(3)18-19-16/h5-9H,4,11H2,1-3H3
InChIKeyASQNPTIHCXUEEY-UHFFFAOYSA-N
XLogP2.99
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 60732000) is 3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is CCN(Cc1ccccc1)c1nnc(C)c(C)c1C#N.
What is the InChIKey of 3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is ASQNPTIHCXUEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-4-20(11-14-8-6-5-7-9-14)16-15(10-17)12(2)13(3)18-19-16/h5-9H,4,11H2,1-3H3.
What are the key properties of 3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 60732000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).