3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile

C13H20N4 — CID 80508707

IUPAC3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NC(C)CC)c(C#N)c1CC
InChIInChI=1S/C13H20N4/c1-5-9(4)15-13-11(8-14)10(6-2)12(7-3)16-17-13/h9H,5-7H2,1-4H3,(H,15,17)
InChIKeyMGNKCCJBNRDCOB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.68
Rot. Bonds5

About 3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile

3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80508707) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80508707
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NC(C)CC)c(C#N)c1CC
InChIInChI=1S/C13H20N4/c1-5-9(4)15-13-11(8-14)10(6-2)12(7-3)16-17-13/h9H,5-7H2,1-4H3,(H,15,17)
InChIKeyMGNKCCJBNRDCOB-UHFFFAOYSA-N
XLogP2.68
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile (CID 80508707) is 3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NC(C)CC)c(C#N)c1CC.
What is the InChIKey of 3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is MGNKCCJBNRDCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-5-9(4)15-13-11(8-14)10(6-2)12(7-3)16-17-13/h9H,5-7H2,1-4H3,(H,15,17).
What are the key properties of 3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile?
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80508707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).