5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine

C21H17N3O — CID 176912977

IUPAC5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine
SMILESNc1cc2c(nn1)CC(=Cc1ccccc1)OC2=Cc1ccccc1
InChIInChI=1S/C21H17N3O/c22-21-14-18-19(23-24-21)13-17(11-15-7-3-1-4-8-15)25-20(18)12-16-9-5-2-6-10-16/h1-12,14H,13H2,(H2,22,24)
InChIKeyOYDOTFHLPZUUPG-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.17
Rot. Bonds2

About 5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine

5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine (PubChem CID 176912977) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound Name5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine
PubChem CID176912977
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine
SMILESNc1cc2c(nn1)CC(=Cc1ccccc1)OC2=Cc1ccccc1
InChIInChI=1S/C21H17N3O/c22-21-14-18-19(23-24-21)13-17(11-15-7-3-1-4-8-15)25-20(18)12-16-9-5-2-6-10-16/h1-12,14H,13H2,(H2,22,24)
InChIKeyOYDOTFHLPZUUPG-UHFFFAOYSA-N
XLogP4.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine?
The IUPAC name of 5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine (CID 176912977) is 5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine.
What is the SMILES notation for 5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine?
The canonical SMILES for 5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine is Nc1cc2c(nn1)CC(=Cc1ccccc1)OC2=Cc1ccccc1.
What is the InChIKey of 5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine?
The InChIKey is OYDOTFHLPZUUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c22-21-14-18-19(23-24-21)13-17(11-15-7-3-1-4-8-15)25-20(18)12-16-9-5-2-6-10-16/h1-12,14H,13H2,(H2,22,24).
What are the key properties of 5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine?
5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine has a molecular weight of 327.39 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibenzylidene-8H-pyrano[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 176912977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).