N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine

C20H17N3O — CID 171830677

IUPACN-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2cc3c(nn2)CCOC3)c2ccccc2)cc1
InChIInChI=1S/C20H17N3O/c1-3-7-15(8-4-1)20(16-9-5-2-6-10-16)21-19-13-17-14-24-12-11-18(17)22-23-19/h1-10,13H,11-12,14H2
InChIKeyKZIABSDKRMJABE-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.72
Rot. Bonds3

About N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine

N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine (PubChem CID 171830677) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine
PubChem CID171830677
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC NameN-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2cc3c(nn2)CCOC3)c2ccccc2)cc1
InChIInChI=1S/C20H17N3O/c1-3-7-15(8-4-1)20(16-9-5-2-6-10-16)21-19-13-17-14-24-12-11-18(17)22-23-19/h1-10,13H,11-12,14H2
InChIKeyKZIABSDKRMJABE-UHFFFAOYSA-N
XLogP3.72
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine?
The IUPAC name of N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine (CID 171830677) is N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine is c1ccc(C(=Nc2cc3c(nn2)CCOC3)c2ccccc2)cc1.
What is the InChIKey of N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine?
The InChIKey is KZIABSDKRMJABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-3-7-15(8-4-1)20(16-9-5-2-6-10-16)21-19-13-17-14-24-12-11-18(17)22-23-19/h1-10,13H,11-12,14H2.
What are the key properties of N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine?
N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine has a molecular weight of 315.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)-1,1-diphenylmethanimine is sourced from PubChem (CID 171830677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).