2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol

C22H23N5O2 — CID 170041445

IUPAC2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol
SMILESOc1cc(-c2cccnn2)ccc1-c1cc2c(nn1)N(C1CCCCC1)CCO2
InChIInChI=1S/C22H23N5O2/c28-20-13-15(18-7-4-10-23-24-18)8-9-17(20)19-14-21-22(26-25-19)27(11-12-29-21)16-5-2-1-3-6-16/h4,7-10,13-14,16,28H,1-3,5-6,11-12H2
InChIKeyUFHMNQZZFHQNFO-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.84
Rot. Bonds3

About 2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol

2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol (PubChem CID 170041445) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol.

Molecular Properties

Compound Name2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol
PubChem CID170041445
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol
SMILESOc1cc(-c2cccnn2)ccc1-c1cc2c(nn1)N(C1CCCCC1)CCO2
InChIInChI=1S/C22H23N5O2/c28-20-13-15(18-7-4-10-23-24-18)8-9-17(20)19-14-21-22(26-25-19)27(11-12-29-21)16-5-2-1-3-6-16/h4,7-10,13-14,16,28H,1-3,5-6,11-12H2
InChIKeyUFHMNQZZFHQNFO-UHFFFAOYSA-N
XLogP3.84
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol?
The IUPAC name of 2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol (CID 170041445) is 2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol.
What is the SMILES notation for 2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol?
The canonical SMILES for 2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol is Oc1cc(-c2cccnn2)ccc1-c1cc2c(nn1)N(C1CCCCC1)CCO2.
What is the InChIKey of 2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol?
The InChIKey is UFHMNQZZFHQNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-20-13-15(18-7-4-10-23-24-18)8-9-17(20)19-14-21-22(26-25-19)27(11-12-29-21)16-5-2-1-3-6-16/h4,7-10,13-14,16,28H,1-3,5-6,11-12H2.
What are the key properties of 2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol?
2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol has a molecular weight of 389.46 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-pyridazin-3-ylphenol is sourced from PubChem (CID 170041445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).