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

C12H17N5O2 — CID 103375352

IUPAC1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCCC(Cc1nc(-c2ccc(OC)nn2)no1)NC
InChIInChI=1S/C12H17N5O2/c1-4-8(13-2)7-11-14-12(17-19-11)9-5-6-10(18-3)16-15-9/h5-6,8,13H,4,7H2,1-3H3
InChIKeyORBPNEKXYFVBKT-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.08
Rot. Bonds6

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

1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (PubChem CID 103375352) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
PubChem CID103375352
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCCC(Cc1nc(-c2ccc(OC)nn2)no1)NC
InChIInChI=1S/C12H17N5O2/c1-4-8(13-2)7-11-14-12(17-19-11)9-5-6-10(18-3)16-15-9/h5-6,8,13H,4,7H2,1-3H3
InChIKeyORBPNEKXYFVBKT-UHFFFAOYSA-N
XLogP1.08
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103375297
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 103375325
1-methoxy-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 103375301
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
N-ethyl-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103375313
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 103372818
1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 103375278
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103372928
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63349041
1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63348720
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The IUPAC name of 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (CID 103375352) is 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.
What is the SMILES notation for 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The canonical SMILES for 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is CCC(Cc1nc(-c2ccc(OC)nn2)no1)NC.
What is the InChIKey of 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The InChIKey is ORBPNEKXYFVBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-8(13-2)7-11-14-12(17-19-11)9-5-6-10(18-3)16-15-9/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of 1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine has a molecular weight of 263.30 g/mol, XLogP of 1.08, 6 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-methylbutan-2-amine is sourced from PubChem (CID 103375352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).