3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile

C17H28N4 — CID 80504557

IUPAC3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N(CC(C)C)CC(C)C)c(C#N)c1CC
InChIInChI=1S/C17H28N4/c1-7-14-15(9-18)17(20-19-16(14)8-2)21(10-12(3)4)11-13(5)6/h12-13H,7-8,10-11H2,1-6H3
InChIKeyPHEYRSOQPWSZSF-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.59
Rot. Bonds7

About 3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile

3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80504557) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80504557
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N(CC(C)C)CC(C)C)c(C#N)c1CC
InChIInChI=1S/C17H28N4/c1-7-14-15(9-18)17(20-19-16(14)8-2)21(10-12(3)4)11-13(5)6/h12-13H,7-8,10-11H2,1-6H3
InChIKeyPHEYRSOQPWSZSF-UHFFFAOYSA-N
XLogP3.59
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile (CID 80504557) is 3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(N(CC(C)C)CC(C)C)c(C#N)c1CC.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is PHEYRSOQPWSZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-7-14-15(9-18)17(20-19-16(14)8-2)21(10-12(3)4)11-13(5)6/h12-13H,7-8,10-11H2,1-6H3.
What are the key properties of 3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 288.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80504557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).