N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine

C12H11N3O — CID 11127609

IUPACN-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine
SMILESCOc1ccc(/N=C/c2ccnnc2)cc1
InChIInChI=1S/C12H11N3O/c1-16-12-4-2-11(3-5-12)13-8-10-6-7-14-15-9-10/h2-9H,1H3/b13-8+
InChIKeyXTECVYMBEBBZAT-MDWZMJQESA-N
MW213.24 g/mol
LogP2.24
Rot. Bonds3

About N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine

N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine (PubChem CID 11127609) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine
PubChem CID11127609
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine
SMILESCOc1ccc(/N=C/c2ccnnc2)cc1
InChIInChI=1S/C12H11N3O/c1-16-12-4-2-11(3-5-12)13-8-10-6-7-14-15-9-10/h2-9H,1H3/b13-8+
InChIKeyXTECVYMBEBBZAT-MDWZMJQESA-N
XLogP2.24
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.24
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-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine?
The IUPAC name of N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine (CID 11127609) is N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine?
The canonical SMILES for N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine is COc1ccc(/N=C/c2ccnnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine?
The InChIKey is XTECVYMBEBBZAT-MDWZMJQESA-N. The full InChI is InChI=1S/C12H11N3O/c1-16-12-4-2-11(3-5-12)13-8-10-6-7-14-15-9-10/h2-9H,1H3/b13-8+.
What are the key properties of N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine?
N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine has a molecular weight of 213.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine is sourced from PubChem (CID 11127609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).