2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C10H13N5O3 — CID 103372783

IUPAC2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOCC(N)c1nc(-c2ccc(OC)nn2)no1
InChIInChI=1S/C10H13N5O3/c1-16-5-6(11)10-12-9(15-18-10)7-3-4-8(17-2)14-13-7/h3-4,6H,5,11H2,1-2H3
InChIKeyGCKHVMFPANCLML-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.18
Rot. Bonds5

About 2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 103372783) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID103372783
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOCC(N)c1nc(-c2ccc(OC)nn2)no1
InChIInChI=1S/C10H13N5O3/c1-16-5-6(11)10-12-9(15-18-10)7-3-4-8(17-2)14-13-7/h3-4,6H,5,11H2,1-2H3
InChIKeyGCKHVMFPANCLML-UHFFFAOYSA-N
XLogP0.18
TPSA109.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937
2-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81077940
1-methoxy-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 103375301
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 103375293
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103372928
(1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 70756733
[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 103375154
N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103375338
4-[5-(1-amino-2-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810007
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 103372818
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 103372858
1-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 114329309

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 103372783) is 2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is COCC(N)c1nc(-c2ccc(OC)nn2)no1.
What is the InChIKey of 2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is GCKHVMFPANCLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-16-5-6(11)10-12-9(15-18-10)7-3-4-8(17-2)14-13-7/h3-4,6H,5,11H2,1-2H3.
What are the key properties of 2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 251.25 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 103372783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).