5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile

C16H18N4 — CID 63010424

IUPAC5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NC(C)Cc2ccccc2)c(C#N)c1C
InChIInChI=1S/C16H18N4/c1-11(9-14-7-5-4-6-8-14)18-16-15(10-17)12(2)13(3)19-20-16/h4-8,11H,9H2,1-3H3,(H,18,20)
InChIKeyMICFSANDKCUPSO-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.01
Rot. Bonds4

About 5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile (PubChem CID 63010424) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile
PubChem CID63010424
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NC(C)Cc2ccccc2)c(C#N)c1C
InChIInChI=1S/C16H18N4/c1-11(9-14-7-5-4-6-8-14)18-16-15(10-17)12(2)13(3)19-20-16/h4-8,11H,9H2,1-3H3,(H,18,20)
InChIKeyMICFSANDKCUPSO-UHFFFAOYSA-N
XLogP3.01
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile (CID 63010424) is 5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile is Cc1nnc(NC(C)Cc2ccccc2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile?
The InChIKey is MICFSANDKCUPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11(9-14-7-5-4-6-8-14)18-16-15(10-17)12(2)13(3)19-20-16/h4-8,11H,9H2,1-3H3,(H,18,20).
What are the key properties of 5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 63010424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).