1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine

C17H20N6O2 — CID 171774483

IUPAC1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine
SMILESCOc1ccc(-c2noc(-c3ccc(C(N)CCCN)nn3)n2)cc1
InChIInChI=1S/C17H20N6O2/c1-24-12-6-4-11(5-7-12)16-20-17(25-23-16)15-9-8-14(21-22-15)13(19)3-2-10-18/h4-9,13H,2-3,10,18-19H2,1H3
InChIKeyJAGBNTIDKTXFOI-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.94
Rot. Bonds7

About 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine

1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine (PubChem CID 171774483) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine.

Molecular Properties

Compound Name1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine
PubChem CID171774483
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine
SMILESCOc1ccc(-c2noc(-c3ccc(C(N)CCCN)nn3)n2)cc1
InChIInChI=1S/C17H20N6O2/c1-24-12-6-4-11(5-7-12)16-20-17(25-23-16)15-9-8-14(21-22-15)13(19)3-2-10-18/h4-9,13H,2-3,10,18-19H2,1H3
InChIKeyJAGBNTIDKTXFOI-UHFFFAOYSA-N
XLogP1.94
TPSA125.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine?
The IUPAC name of 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine (CID 171774483) is 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine.
What is the SMILES notation for 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine?
The canonical SMILES for 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine is COc1ccc(-c2noc(-c3ccc(C(N)CCCN)nn3)n2)cc1.
What is the InChIKey of 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine?
The InChIKey is JAGBNTIDKTXFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-24-12-6-4-11(5-7-12)16-20-17(25-23-16)15-9-8-14(21-22-15)13(19)3-2-10-18/h4-9,13H,2-3,10,18-19H2,1H3.
What are the key properties of 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine?
1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine has a molecular weight of 340.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine is sourced from PubChem (CID 171774483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).