5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile

C12H16N4O — CID 47184936

IUPAC5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCC2CCOC2)c(C#N)c1C
InChIInChI=1S/C12H16N4O/c1-8-9(2)15-16-12(11(8)5-13)14-6-10-3-4-17-7-10/h10H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeyDEKDERPZKHIDLW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.41
Rot. Bonds3

About 5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile (PubChem CID 47184936) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile
PubChem CID47184936
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCC2CCOC2)c(C#N)c1C
InChIInChI=1S/C12H16N4O/c1-8-9(2)15-16-12(11(8)5-13)14-6-10-3-4-17-7-10/h10H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeyDEKDERPZKHIDLW-UHFFFAOYSA-N
XLogP1.41
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile (CID 47184936) is 5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile is Cc1nnc(NCC2CCOC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile?
The InChIKey is DEKDERPZKHIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-9(2)15-16-12(11(8)5-13)14-6-10-3-4-17-7-10/h10H,3-4,6-7H2,1-2H3,(H,14,16).
What are the key properties of 5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 47184936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).