3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile

C15H16N4 — CID 80515387

IUPAC3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile
SMILESCC(C)(CNc1nnccc1C#N)c1ccccc1
InChIInChI=1S/C15H16N4/c1-15(2,13-6-4-3-5-7-13)11-17-14-12(10-16)8-9-18-19-14/h3-9H,11H2,1-2H3,(H,17,19)
InChIKeyIVARIOYKEXZALC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.74
Rot. Bonds4

About 3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile

3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile (PubChem CID 80515387) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile
PubChem CID80515387
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile
SMILESCC(C)(CNc1nnccc1C#N)c1ccccc1
InChIInChI=1S/C15H16N4/c1-15(2,13-6-4-3-5-7-13)11-17-14-12(10-16)8-9-18-19-14/h3-9H,11H2,1-2H3,(H,17,19)
InChIKeyIVARIOYKEXZALC-UHFFFAOYSA-N
XLogP2.74
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile (CID 80515387) is 3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile is CC(C)(CNc1nnccc1C#N)c1ccccc1.
What is the InChIKey of 3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile?
The InChIKey is IVARIOYKEXZALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-15(2,13-6-4-3-5-7-13)11-17-14-12(10-16)8-9-18-19-14/h3-9H,11H2,1-2H3,(H,17,19).
What are the key properties of 3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile?
3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80515387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).