4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine

C13H15N5O2 — CID 16679906

IUPAC4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine
SMILESCOc1ccc(-c2nnc(N3CCOCC3)nn2)cc1
InChIInChI=1S/C13H15N5O2/c1-19-11-4-2-10(3-5-11)12-14-16-13(17-15-12)18-6-8-20-9-7-18/h2-5H,6-9H2,1H3
InChIKeyPTSHDMVWMLOBJA-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.78
Rot. Bonds3

About 4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine

4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine (PubChem CID 16679906) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine
PubChem CID16679906
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine
SMILESCOc1ccc(-c2nnc(N3CCOCC3)nn2)cc1
InChIInChI=1S/C13H15N5O2/c1-19-11-4-2-10(3-5-11)12-14-16-13(17-15-12)18-6-8-20-9-7-18/h2-5H,6-9H2,1H3
InChIKeyPTSHDMVWMLOBJA-UHFFFAOYSA-N
XLogP0.78
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine?
The IUPAC name of 4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine (CID 16679906) is 4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine?
The canonical SMILES for 4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine is COc1ccc(-c2nnc(N3CCOCC3)nn2)cc1.
What is the InChIKey of 4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine?
The InChIKey is PTSHDMVWMLOBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-19-11-4-2-10(3-5-11)12-14-16-13(17-15-12)18-6-8-20-9-7-18/h2-5H,6-9H2,1H3.
What are the key properties of 4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine?
4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine has a molecular weight of 273.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]morpholine is sourced from PubChem (CID 16679906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).