6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine

C19H15N5O — CID 53021998

IUPAC6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine
SMILESCc1ccc(-c2noc(-c3ccc(Nc4ccccc4)nn3)n2)cc1
InChIInChI=1S/C19H15N5O/c1-13-7-9-14(10-8-13)18-21-19(25-24-18)16-11-12-17(23-22-16)20-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)
InChIKeyPINXIJGVUHMQRD-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.25
Rot. Bonds4

About 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine

6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine (PubChem CID 53021998) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine.

Molecular Properties

Compound Name6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine
PubChem CID53021998
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine
SMILESCc1ccc(-c2noc(-c3ccc(Nc4ccccc4)nn3)n2)cc1
InChIInChI=1S/C19H15N5O/c1-13-7-9-14(10-8-13)18-21-19(25-24-18)16-11-12-17(23-22-16)20-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)
InChIKeyPINXIJGVUHMQRD-UHFFFAOYSA-N
XLogP4.25
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone
CID 53054493
N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054516
N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
CID 53004483
3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
CID 53021969
4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline
CID 155374553
N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054496
3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole
CID 53021997
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine?
The IUPAC name of 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine (CID 53021998) is 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine.
What is the SMILES notation for 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine?
The canonical SMILES for 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine is Cc1ccc(-c2noc(-c3ccc(Nc4ccccc4)nn3)n2)cc1.
What is the InChIKey of 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine?
The InChIKey is PINXIJGVUHMQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-7-9-14(10-8-13)18-21-19(25-24-18)16-11-12-17(23-22-16)20-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23).
What are the key properties of 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine?
6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine has a molecular weight of 329.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine is sourced from PubChem (CID 53021998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).