(4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride

C15H18ClN3O — CID 138397341

IUPAC(4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride
SMILESCOc1ccc(C/N=N/C=C2C=CN(C)C=C2)cc1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-18-9-7-14(8-10-18)12-17-16-11-13-3-5-15(19-2)6-4-13;/h3-10,12H,11H2,1-2H3;1H/b17-16+;
InChIKeyRFJMBPVMHMWBRM-CMBBICFISA-N
MW291.78 g/mol
LogP3.93
Rot. Bonds4

About (4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride

(4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride (PubChem CID 138397341) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride
PubChem CID138397341
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name(4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride
SMILESCOc1ccc(C/N=N/C=C2C=CN(C)C=C2)cc1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-18-9-7-14(8-10-18)12-17-16-11-13-3-5-15(19-2)6-4-13;/h3-10,12H,11H2,1-2H3;1H/b17-16+;
InChIKeyRFJMBPVMHMWBRM-CMBBICFISA-N
XLogP3.93
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene
CID 138397342
(4-methoxyphenyl)methyl-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;methyl hydrogen sulfate
CID 170844503
(4-methoxyphenyl)methyl-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;oxalic acid
CID 154735098
(4-methoxyphenyl)methyl-[(1,3,3-trimethyl-5-nitroindol-2-ylidene)methyl]diazene;methyl hydrogen sulfate
CID 154735086
(4-methoxyphenyl)methyliminocarbamothioic S-acid
CID 175036272
(4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene
CID 170922069
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
N-[(4-methoxyphenyl)methyl]but-2-yn-1-imine
CID 101448432
(1-hydroxy-4-pyridinylidene)methyl-methyldiazene
CID 90481834
6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4783672
N'-[(4-methoxyphenyl)methyl]-N-(methylideneamino)methanimidamide
CID 142987862
N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide
CID 166085735

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride?
The IUPAC name of (4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride (CID 138397341) is (4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride.
What is the SMILES notation for (4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride?
The canonical SMILES for (4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride is COc1ccc(C/N=N/C=C2C=CN(C)C=C2)cc1.Cl.
What is the InChIKey of (4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride?
The InChIKey is RFJMBPVMHMWBRM-CMBBICFISA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c1-18-9-7-14(8-10-18)12-17-16-11-13-3-5-15(19-2)6-4-13;/h3-10,12H,11H2,1-2H3;1H/b17-16+;.
What are the key properties of (4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride?
(4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-[(1-methyl-4-pyridinylidene)methyl]diazene;hydrochloride is sourced from PubChem (CID 138397341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).