N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide

C15H18N4O — CID 66940614

IUPACN'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide
SMILESCOc1ccc(Cc2ccc(/N=C/N(C)C)nn2)cc1
InChIInChI=1S/C15H18N4O/c1-19(2)11-16-15-9-6-13(17-18-15)10-12-4-7-14(20-3)8-5-12/h4-9,11H,10H2,1-3H3/b16-11+
InChIKeyHBGSGXJIQNKTND-LFIBNONCSA-N
MW270.34 g/mol
LogP2.30
Rot. Bonds5

About N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide

N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide (PubChem CID 66940614) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide
PubChem CID66940614
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide
SMILESCOc1ccc(Cc2ccc(/N=C/N(C)C)nn2)cc1
InChIInChI=1S/C15H18N4O/c1-19(2)11-16-15-9-6-13(17-18-15)10-12-4-7-14(20-3)8-5-12/h4-9,11H,10H2,1-3H3/b16-11+
InChIKeyHBGSGXJIQNKTND-LFIBNONCSA-N
XLogP2.30
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925
2-[(4-methoxyphenyl)methyl]-4,5-dimethylpyridine
CID 11172203
N'-(4-methoxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 25767
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
(4-methoxyphenyl)methanol
CID 7738
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine
CID 132599430
2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111024094
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine
CID 122215032
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407

Frequently Asked Questions

What is the IUPAC name of N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide (CID 66940614) is N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide is COc1ccc(Cc2ccc(/N=C/N(C)C)nn2)cc1.
What is the InChIKey of N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide?
The InChIKey is HBGSGXJIQNKTND-LFIBNONCSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(2)11-16-15-9-6-13(17-18-15)10-12-4-7-14(20-3)8-5-12/h4-9,11H,10H2,1-3H3/b16-11+.
What are the key properties of N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide?
N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide has a molecular weight of 270.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 66940614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).