5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C20H20N6O3 — CID 142482627

IUPAC5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCCOc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1OCC
InChIInChI=1S/C20H20N6O3/c1-3-27-15-11-7-5-9-13(15)21-17-18(24-20-19(23-17)25-29-26-20)22-14-10-6-8-12-16(14)28-4-2/h5-12H,3-4H2,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyCGIPLAKXOLIALA-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.30
Rot. Bonds8

About 5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 142482627) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID142482627
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCCOc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1OCC
InChIInChI=1S/C20H20N6O3/c1-3-27-15-11-7-5-9-13(15)21-17-18(24-20-19(23-17)25-29-26-20)22-14-10-6-8-12-16(14)28-4-2/h5-12H,3-4H2,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyCGIPLAKXOLIALA-UHFFFAOYSA-N
XLogP4.30
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80763275
N-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114399974
4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80762592
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238
6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 633765
5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 146200481
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
6-N-(2-ethoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80763064
5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
CID 61229826
5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
CID 79727364

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 142482627) is 5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CCOc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1OCC.
What is the InChIKey of 5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is CGIPLAKXOLIALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-3-27-15-11-7-5-9-13(15)21-17-18(24-20-19(23-17)25-29-26-20)22-14-10-6-8-12-16(14)28-4-2/h5-12H,3-4H2,1-2H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 392.42 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).