5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile

C17H20N4 — CID 36545748

IUPAC5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile
SMILESCc1nnc(N[C@@H](C)CCc2ccccc2)c(C#N)c1C
InChIInChI=1S/C17H20N4/c1-12(9-10-15-7-5-4-6-8-15)19-17-16(11-18)13(2)14(3)20-21-17/h4-8,12H,9-10H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyOFXVAXMJNJJGJF-LBPRGKRZSA-N
MW280.38 g/mol
LogP3.40
Rot. Bonds5

About 5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile (PubChem CID 36545748) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile
PubChem CID36545748
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile
SMILESCc1nnc(N[C@@H](C)CCc2ccccc2)c(C#N)c1C
InChIInChI=1S/C17H20N4/c1-12(9-10-15-7-5-4-6-8-15)19-17-16(11-18)13(2)14(3)20-21-17/h4-8,12H,9-10H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyOFXVAXMJNJJGJF-LBPRGKRZSA-N
XLogP3.40
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.40
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-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile (CID 36545748) is 5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile is Cc1nnc(N[C@@H](C)CCc2ccccc2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile?
The InChIKey is OFXVAXMJNJJGJF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4/c1-12(9-10-15-7-5-4-6-8-15)19-17-16(11-18)13(2)14(3)20-21-17/h4-8,12H,9-10H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile has a molecular weight of 280.38 g/mol, XLogP of 3.40, 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-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 36545748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).