N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine

C21H19N5O3 — CID 53054496

IUPACN-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
SMILESCOc1ccc(-c2noc(-c3ccc(NCc4ccccc4OC)nn3)n2)cc1
InChIInChI=1S/C21H19N5O3/c1-27-16-9-7-14(8-10-16)20-23-21(29-26-20)17-11-12-19(25-24-17)22-13-15-5-3-4-6-18(15)28-2/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyONZJGHVFBHGEPM-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.82
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine

N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine (PubChem CID 53054496) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
PubChem CID53054496
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
SMILESCOc1ccc(-c2noc(-c3ccc(NCc4ccccc4OC)nn3)n2)cc1
InChIInChI=1S/C21H19N5O3/c1-27-16-9-7-14(8-10-16)20-23-21(29-26-20)17-11-12-19(25-24-17)22-13-15-5-3-4-6-18(15)28-2/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyONZJGHVFBHGEPM-UHFFFAOYSA-N
XLogP3.82
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054500
N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
CID 53021969
N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054516
6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine
CID 53021985
6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyridazin-3-amine
CID 53013577
N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
CID 53004483
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
CID 53022064
1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone
CID 53054493
6-[(2-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109120056
6-N-[(2-methoxyphenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881284
6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine
CID 53021998
1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine
CID 171774482

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine (CID 53054496) is N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine is COc1ccc(-c2noc(-c3ccc(NCc4ccccc4OC)nn3)n2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine?
The InChIKey is ONZJGHVFBHGEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-27-16-9-7-14(8-10-16)20-23-21(29-26-20)17-11-12-19(25-24-17)22-13-15-5-3-4-6-18(15)28-2/h3-12H,13H2,1-2H3,(H,22,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine?
N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine has a molecular weight of 389.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine is sourced from PubChem (CID 53054496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).