5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile

C14H22N4 — CID 78966585

IUPAC5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCC(C)C(C)(C)C)c(C#N)c1C
InChIInChI=1S/C14H22N4/c1-9(14(4,5)6)8-16-13-12(7-15)10(2)11(3)17-18-13/h9H,8H2,1-6H3,(H,16,18)
InChIKeyMAWKFUBKUJRDHT-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.06
Rot. Bonds3

About 5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile (PubChem CID 78966585) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
PubChem CID78966585
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCC(C)C(C)(C)C)c(C#N)c1C
InChIInChI=1S/C14H22N4/c1-9(14(4,5)6)8-16-13-12(7-15)10(2)11(3)17-18-13/h9H,8H2,1-6H3,(H,16,18)
InChIKeyMAWKFUBKUJRDHT-UHFFFAOYSA-N
XLogP3.06
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile (CID 78966585) is 5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile is Cc1nnc(NCC(C)C(C)(C)C)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile?
The InChIKey is MAWKFUBKUJRDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-9(14(4,5)6)8-16-13-12(7-15)10(2)11(3)17-18-13/h9H,8H2,1-6H3,(H,16,18).
What are the key properties of 5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 78966585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).