N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine

C20H17N5O — CID 53004483

IUPACN-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
SMILESc1ccc(CCNc2ccc(-c3nc(-c4ccccc4)no3)nn2)cc1
InChIInChI=1S/C20H17N5O/c1-3-7-15(8-4-1)13-14-21-18-12-11-17(23-24-18)20-22-19(25-26-20)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,21,24)
InChIKeyKCSLULCSJHMSQJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.85
Rot. Bonds6

About N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine

N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine (PubChem CID 53004483) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
PubChem CID53004483
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
SMILESc1ccc(CCNc2ccc(-c3nc(-c4ccccc4)no3)nn2)cc1
InChIInChI=1S/C20H17N5O/c1-3-7-15(8-4-1)13-14-21-18-12-11-17(23-24-18)20-22-19(25-26-20)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,21,24)
InChIKeyKCSLULCSJHMSQJ-UHFFFAOYSA-N
XLogP3.85
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine?
The IUPAC name of N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine (CID 53004483) is N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine.
What is the SMILES notation for N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine?
The canonical SMILES for N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine is c1ccc(CCNc2ccc(-c3nc(-c4ccccc4)no3)nn2)cc1.
What is the InChIKey of N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine?
The InChIKey is KCSLULCSJHMSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-3-7-15(8-4-1)13-14-21-18-12-11-17(23-24-18)20-22-19(25-26-20)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,21,24).
What are the key properties of N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine?
N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine has a molecular weight of 343.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine is sourced from PubChem (CID 53004483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).