2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine

C14H22N6O2 — CID 155965384

IUPAC2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine
SMILESCOc1ccc(-c2noc(CNC(C)(C)CN(C)C)n2)nn1
InChIInChI=1S/C14H22N6O2/c1-14(2,9-20(3)4)15-8-12-16-13(19-22-12)10-6-7-11(21-5)18-17-10/h6-7,15H,8-9H2,1-5H3
InChIKeyVIDZKTJZQUVWQH-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.96
Rot. Bonds7

About 2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine

2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine (PubChem CID 155965384) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine
PubChem CID155965384
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine
SMILESCOc1ccc(-c2noc(CNC(C)(C)CN(C)C)n2)nn1
InChIInChI=1S/C14H22N6O2/c1-14(2,9-20(3)4)15-8-12-16-13(19-22-12)10-6-7-11(21-5)18-17-10/h6-7,15H,8-9H2,1-5H3
InChIKeyVIDZKTJZQUVWQH-UHFFFAOYSA-N
XLogP0.96
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine with MolForge

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Related Compounds

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]-N,3,3-trimethylbutan-2-amine
CID 103375325
N-[2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 103372758
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]butan-2-ol
CID 103375297
1-methoxy-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 103375301
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
[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 103375154
3-hydroxy-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527932
3-(6-methoxypyridazin-3-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 103372840

Frequently Asked Questions

What is the IUPAC name of 2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 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) is 2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine is COc1ccc(-c2noc(CNC(C)(C)CN(C)C)n2)nn1.
What is the InChIKey of 2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine?
The InChIKey is VIDZKTJZQUVWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-14(2,9-20(3)4)15-8-12-16-13(19-22-12)10-6-7-11(21-5)18-17-10/h6-7,15H,8-9H2,1-5H3.
What are the key properties of 2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine?
2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine has a molecular weight of 306.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-N,1-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 155965384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).