3-(4-ethoxyphenyl)-1,2,4,5-tetrazine

C10H10N4O — CID 172602798

IUPAC3-(4-ethoxyphenyl)-1,2,4,5-tetrazine
SMILESCCOc1ccc(-c2nncnn2)cc1
InChIInChI=1S/C10H10N4O/c1-2-15-9-5-3-8(4-6-9)10-13-11-7-12-14-10/h3-7H,2H2,1H3
InChIKeyHLRKTNULGUNCRM-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.33
Rot. Bonds3

About 3-(4-ethoxyphenyl)-1,2,4,5-tetrazine

3-(4-ethoxyphenyl)-1,2,4,5-tetrazine (PubChem CID 172602798) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1,2,4,5-tetrazine
PubChem CID172602798
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-(4-ethoxyphenyl)-1,2,4,5-tetrazine
SMILESCCOc1ccc(-c2nncnn2)cc1
InChIInChI=1S/C10H10N4O/c1-2-15-9-5-3-8(4-6-9)10-13-11-7-12-14-10/h3-7H,2H2,1H3
InChIKeyHLRKTNULGUNCRM-UHFFFAOYSA-N
XLogP1.33
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-bis(4-ethoxyphenyl)-1,2,4-triazine
CID 154146425
3-[4-(1,2,4,5-tetrazin-3-yl)phenoxy]propan-1-amine;hydrochloride
CID 170905342
6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine
CID 116822998
2-(4-ethoxyphenyl)-5-propylpyrimidine
CID 18702636
4-(4-ethoxyphenyl)benzamide
CID 163572533
3-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-6-methyl-1,2,4,5-tetrazine
CID 168747424
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 55045308
4-(4-ethoxyphenyl)selenadiazole
CID 4047770
2,5-bis(4-ethoxyphenyl)thiophene
CID 154402016
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
CID 66312090

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1,2,4,5-tetrazine?
The IUPAC name of 3-(4-ethoxyphenyl)-1,2,4,5-tetrazine (CID 172602798) is 3-(4-ethoxyphenyl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1,2,4,5-tetrazine?
The canonical SMILES for 3-(4-ethoxyphenyl)-1,2,4,5-tetrazine is CCOc1ccc(-c2nncnn2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1,2,4,5-tetrazine?
The InChIKey is HLRKTNULGUNCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-2-15-9-5-3-8(4-6-9)10-13-11-7-12-14-10/h3-7H,2H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-1,2,4,5-tetrazine?
3-(4-ethoxyphenyl)-1,2,4,5-tetrazine has a molecular weight of 202.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1,2,4,5-tetrazine is sourced from PubChem (CID 172602798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).