6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile

C15H15N5O2 — CID 126938812

IUPAC6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(=O)n(C2COCC2Nc2ccc(C#N)cn2)n1
InChIInChI=1S/C15H15N5O2/c1-10-2-5-15(21)20(19-10)13-9-22-8-12(13)18-14-4-3-11(6-16)7-17-14/h2-5,7,12-13H,8-9H2,1H3,(H,17,18)
InChIKeyPYENJXKGYRMRJM-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.87
Rot. Bonds3

About 6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile

6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 126938812) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
PubChem CID126938812
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(=O)n(C2COCC2Nc2ccc(C#N)cn2)n1
InChIInChI=1S/C15H15N5O2/c1-10-2-5-15(21)20(19-10)13-9-22-8-12(13)18-14-4-3-11(6-16)7-17-14/h2-5,7,12-13H,8-9H2,1H3,(H,17,18)
InChIKeyPYENJXKGYRMRJM-UHFFFAOYSA-N
XLogP0.87
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile (CID 126938812) is 6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile is Cc1ccc(=O)n(C2COCC2Nc2ccc(C#N)cn2)n1.
What is the InChIKey of 6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is PYENJXKGYRMRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-10-2-5-15(21)20(19-10)13-9-22-8-12(13)18-14-4-3-11(6-16)7-17-14/h2-5,7,12-13H,8-9H2,1H3,(H,17,18).
What are the key properties of 6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile?
6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 297.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 126938812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).