5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile

C15H18N6O — CID 95281695

IUPAC5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCO[C@@H](Cn3cccn3)C2)c(C#N)c1C
InChIInChI=1S/C15H18N6O/c1-11-12(2)18-19-15(14(11)8-16)20-6-7-22-13(9-20)10-21-5-3-4-17-21/h3-5,13H,6-7,9-10H2,1-2H3/t13-/m1/s1
InChIKeyMSTHOZQWUMQKTF-CYBMUJFWSA-N
MW298.35 g/mol
LogP1.07
Rot. Bonds3

About 5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile (PubChem CID 95281695) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile
PubChem CID95281695
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCO[C@@H](Cn3cccn3)C2)c(C#N)c1C
InChIInChI=1S/C15H18N6O/c1-11-12(2)18-19-15(14(11)8-16)20-6-7-22-13(9-20)10-21-5-3-4-17-21/h3-5,13H,6-7,9-10H2,1-2H3/t13-/m1/s1
InChIKeyMSTHOZQWUMQKTF-CYBMUJFWSA-N
XLogP1.07
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile (CID 95281695) is 5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile is Cc1nnc(N2CCO[C@@H](Cn3cccn3)C2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile?
The InChIKey is MSTHOZQWUMQKTF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N6O/c1-11-12(2)18-19-15(14(11)8-16)20-6-7-22-13(9-20)10-21-5-3-4-17-21/h3-5,13H,6-7,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 95281695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).