1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine

C14H21N5O — CID 104672137

IUPAC1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCCc1nnc(C)cc1-c1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C14H21N5O/c1-6-10-9(7-8(2)17-18-10)13-16-12(19-20-13)11(15)14(3,4)5/h7,11H,6,15H2,1-5H3
InChIKeyCJTVXUOAUPTQHN-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.44
Rot. Bonds3

About 1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine

1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (PubChem CID 104672137) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
PubChem CID104672137
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCCc1nnc(C)cc1-c1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C14H21N5O/c1-6-10-9(7-8(2)17-18-10)13-16-12(19-20-13)11(15)14(3,4)5/h7,11H,6,15H2,1-5H3
InChIKeyCJTVXUOAUPTQHN-UHFFFAOYSA-N
XLogP2.44
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine with MolForge

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Related Compounds

5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104672245
1-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 107983727
4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136905901
1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61323620
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096362
1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61325448
1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 79975398
5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine
CID 104670086
5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104672075
1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 66472670
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104672077
1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61324636

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (CID 104672137) is 1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is CCc1nnc(C)cc1-c1nc(C(N)C(C)(C)C)no1.
What is the InChIKey of 1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is CJTVXUOAUPTQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-6-10-9(7-8(2)17-18-10)13-16-12(19-20-13)11(15)14(3,4)5/h7,11H,6,15H2,1-5H3.
What are the key properties of 1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 104672137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).