N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine

C17H21N3O2 — CID 70497685

IUPACN-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine
SMILESCCOC1(N=c2ccn(-c3ccccc3)nc2)CCCCO1
InChIInChI=1S/C17H21N3O2/c1-2-21-17(11-6-7-13-22-17)19-15-10-12-20(18-14-15)16-8-4-3-5-9-16/h3-5,8-10,12,14H,2,6-7,11,13H2,1H3
InChIKeyXNDXPJUCOPBUPB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.66
Rot. Bonds4

About N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine

N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine (PubChem CID 70497685) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine.

Molecular Properties

Compound NameN-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine
PubChem CID70497685
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine
SMILESCCOC1(N=c2ccn(-c3ccccc3)nc2)CCCCO1
InChIInChI=1S/C17H21N3O2/c1-2-21-17(11-6-7-13-22-17)19-15-10-12-20(18-14-15)16-8-4-3-5-9-16/h3-5,8-10,12,14H,2,6-7,11,13H2,1H3
InChIKeyXNDXPJUCOPBUPB-UHFFFAOYSA-N
XLogP2.66
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine?
The IUPAC name of N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine (CID 70497685) is N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine.
What is the SMILES notation for N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine?
The canonical SMILES for N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine is CCOC1(N=c2ccn(-c3ccccc3)nc2)CCCCO1.
What is the InChIKey of N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine?
The InChIKey is XNDXPJUCOPBUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-21-17(11-6-7-13-22-17)19-15-10-12-20(18-14-15)16-8-4-3-5-9-16/h3-5,8-10,12,14H,2,6-7,11,13H2,1H3.
What are the key properties of N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine?
N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine has a molecular weight of 299.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine is sourced from PubChem (CID 70497685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).