5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile

C19H22N4O — CID 56812492

IUPAC5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCC2(c3ccccc3)CCOCC2)c(C#N)c1C
InChIInChI=1S/C19H22N4O/c1-14-15(2)22-23-18(17(14)12-20)21-13-19(8-10-24-11-9-19)16-6-4-3-5-7-16/h3-7H,8-11,13H2,1-2H3,(H,21,23)
InChIKeyRZCFQDIHVRHPOI-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.13
Rot. Bonds4

About 5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile (PubChem CID 56812492) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile
PubChem CID56812492
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCC2(c3ccccc3)CCOCC2)c(C#N)c1C
InChIInChI=1S/C19H22N4O/c1-14-15(2)22-23-18(17(14)12-20)21-13-19(8-10-24-11-9-19)16-6-4-3-5-7-16/h3-7H,8-11,13H2,1-2H3,(H,21,23)
InChIKeyRZCFQDIHVRHPOI-UHFFFAOYSA-N
XLogP3.13
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.13
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-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile (CID 56812492) is 5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile is Cc1nnc(NCC2(c3ccccc3)CCOCC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is RZCFQDIHVRHPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-15(2)22-23-18(17(14)12-20)21-13-19(8-10-24-11-9-19)16-6-4-3-5-7-16/h3-7H,8-11,13H2,1-2H3,(H,21,23).
What are the key properties of 5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(4-phenyloxan-4-yl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 56812492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).