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

C16H18N6O2 — CID 171774482

IUPAC1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine
SMILESCOc1ccc(-c2noc(-c3ccc(C(N)CCN)nn3)n2)cc1
InChIInChI=1S/C16H18N6O2/c1-23-11-4-2-10(3-5-11)15-19-16(24-22-15)14-7-6-13(20-21-14)12(18)8-9-17/h2-7,12H,8-9,17-18H2,1H3
InChIKeyYZJGCXQAUPNIEU-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.55
Rot. Bonds6

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

1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine (PubChem CID 171774482) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine.

Molecular Properties

Compound Name1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine
PubChem CID171774482
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine
SMILESCOc1ccc(-c2noc(-c3ccc(C(N)CCN)nn3)n2)cc1
InChIInChI=1S/C16H18N6O2/c1-23-11-4-2-10(3-5-11)15-19-16(24-22-15)14-7-6-13(20-21-14)12(18)8-9-17/h2-7,12H,8-9,17-18H2,1H3
InChIKeyYZJGCXQAUPNIEU-UHFFFAOYSA-N
XLogP1.55
TPSA125.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]butane-1,4-diamine
CID 171774483
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66379358
N-[(4-fluorophenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054500
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62787593
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685787
N-[(2-methoxyphenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054496
5-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53021993
3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 16956622
2-amino-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66167737
8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 53054501
5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 53054502
N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054516

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine?
The IUPAC name of 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine (CID 171774482) is 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine.
What is the SMILES notation for 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine?
The canonical SMILES for 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine is COc1ccc(-c2noc(-c3ccc(C(N)CCN)nn3)n2)cc1.
What is the InChIKey of 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine?
The InChIKey is YZJGCXQAUPNIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-23-11-4-2-10(3-5-11)15-19-16(24-22-15)14-7-6-13(20-21-14)12(18)8-9-17/h2-7,12H,8-9,17-18H2,1H3.
What are the key properties of 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine?
1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]propane-1,3-diamine has a molecular weight of 326.36 g/mol, XLogP of 1.55, 6 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]propane-1,3-diamine is sourced from PubChem (CID 171774482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).