6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile

C19H22N4O2 — CID 146107464

IUPAC6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile
SMILESCC(Nc1cc(C#N)cnn1)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C19H22N4O2/c1-14(22-18-11-15(12-20)13-21-23-18)19(16-5-3-2-4-6-16)25-17-7-9-24-10-8-17/h2-6,11,13-14,17,19H,7-10H2,1H3,(H,22,23)
InChIKeyKDRCQJLASKNEJN-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.09
Rot. Bonds6

About 6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile

6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile (PubChem CID 146107464) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile
PubChem CID146107464
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile
SMILESCC(Nc1cc(C#N)cnn1)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C19H22N4O2/c1-14(22-18-11-15(12-20)13-21-23-18)19(16-5-3-2-4-6-16)25-17-7-9-24-10-8-17/h2-6,11,13-14,17,19H,7-10H2,1H3,(H,22,23)
InChIKeyKDRCQJLASKNEJN-UHFFFAOYSA-N
XLogP3.09
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile (CID 146107464) is 6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile is CC(Nc1cc(C#N)cnn1)C(OC1CCOCC1)c1ccccc1.
What is the InChIKey of 6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile?
The InChIKey is KDRCQJLASKNEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(22-18-11-15(12-20)13-21-23-18)19(16-5-3-2-4-6-16)25-17-7-9-24-10-8-17/h2-6,11,13-14,17,19H,7-10H2,1H3,(H,22,23).
What are the key properties of 6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile?
6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 146107464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).