5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine

C8H9N5O — CID 104670085

IUPAC5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2nnc(N)o2)c(C)nn1
InChIInChI=1S/C8H9N5O/c1-4-3-6(5(2)11-10-4)7-12-13-8(9)14-7/h3H,1-2H3,(H2,9,13)
InChIKeyBIOYWRJLCXLTIQ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.73
Rot. Bonds1

About 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine

5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 104670085) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID104670085
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2nnc(N)o2)c(C)nn1
InChIInChI=1S/C8H9N5O/c1-4-3-6(5(2)11-10-4)7-12-13-8(9)14-7/h3H,1-2H3,(H2,9,13)
InChIKeyBIOYWRJLCXLTIQ-UHFFFAOYSA-N
XLogP0.73
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669980
2-(Chloromethyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669982
2-(1-Chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669984
2-(1-Chloroethyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669986
2-(2-Chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669987
2-(2-Chloroethyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669989
2-(3-Chloropropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669991
2-(1-Bromopropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669992
2-(1-Bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669994
5-(3-Ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine
CID 104670086
2-[[5-(3,6-Dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 104670835
3-[5-(3,6-Dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 104671890

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine (CID 104670085) is 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine is Cc1cc(-c2nnc(N)o2)c(C)nn1.
What is the InChIKey of 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BIOYWRJLCXLTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-4-3-6(5(2)11-10-4)7-12-13-8(9)14-7/h3H,1-2H3,(H2,9,13).
What are the key properties of 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine?
5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 191.19 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 104670085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).