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

C14H22N4 — CID 47394896

IUPAC5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NC(C)CCC(C)C)c(C#N)c1C
InChIInChI=1S/C14H22N4/c1-9(2)6-7-10(3)16-14-13(8-15)11(4)12(5)17-18-14/h9-10H,6-7H2,1-5H3,(H,16,18)
InChIKeyXTABFGMRCGOCKT-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.20
Rot. Bonds5

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

5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile (PubChem CID 47394896) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile
PubChem CID47394896
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NC(C)CCC(C)C)c(C#N)c1C
InChIInChI=1S/C14H22N4/c1-9(2)6-7-10(3)16-14-13(8-15)11(4)12(5)17-18-14/h9-10H,6-7H2,1-5H3,(H,16,18)
InChIKeyXTABFGMRCGOCKT-UHFFFAOYSA-N
XLogP3.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.20
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-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile (CID 47394896) is 5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile is Cc1nnc(NC(C)CCC(C)C)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile?
The InChIKey is XTABFGMRCGOCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-9(2)6-7-10(3)16-14-13(8-15)11(4)12(5)17-18-14/h9-10H,6-7H2,1-5H3,(H,16,18).
What are the key properties of 5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 47394896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).