1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine

C14H21N5O2 — CID 103375325

IUPAC1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1nc(-c2ccc(OC)nn2)no1)C(C)(C)C
InChIInChI=1S/C14H21N5O2/c1-14(2,3)10(15-4)8-12-16-13(19-21-12)9-6-7-11(20-5)18-17-9/h6-7,10,15H,8H2,1-5H3
InChIKeyDAIBXFMZLZGBSQ-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.71
Rot. Bonds5

About 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine

1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine (PubChem CID 103375325) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
PubChem CID103375325
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1nc(-c2ccc(OC)nn2)no1)C(C)(C)C
InChIInChI=1S/C14H21N5O2/c1-14(2,3)10(15-4)8-12-16-13(19-21-12)9-6-7-11(20-5)18-17-9/h6-7,10,15H,8H2,1-5H3
InChIKeyDAIBXFMZLZGBSQ-UHFFFAOYSA-N
XLogP1.71
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine with MolForge

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Related Compounds

1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 103375352
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 103372818
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103375297
1-methoxy-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 103375301
2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 155965384
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63352296
N-[2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 103372758
3-hydroxy-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527932
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63892002
1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 103375278
N-ethyl-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103375313
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103372928

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine (CID 103375325) is 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine is CNC(Cc1nc(-c2ccc(OC)nn2)no1)C(C)(C)C.
What is the InChIKey of 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine?
The InChIKey is DAIBXFMZLZGBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-14(2,3)10(15-4)8-12-16-13(19-21-12)9-6-7-11(20-5)18-17-9/h6-7,10,15H,8H2,1-5H3.
What are the key properties of 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine?
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine has a molecular weight of 291.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 103375325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).