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

C21H24N6O2 — CID 633765

IUPAC6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOc1ccccc1Nc1nc2nonc2nc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H24N6O2/c1-28-16-5-3-2-4-15(16)22-18-19(25-21-20(24-18)26-29-27-21)23-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3,(H,22,24,26)(H,23,25,27)
InChIKeyLBUXUAQBTSTCQK-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.00
Rot. Bonds5

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

6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 633765) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID633765
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOc1ccccc1Nc1nc2nonc2nc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H24N6O2/c1-28-16-5-3-2-4-15(16)22-18-19(25-21-20(24-18)26-29-27-21)23-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3,(H,22,24,26)(H,23,25,27)
InChIKeyLBUXUAQBTSTCQK-UHFFFAOYSA-N
XLogP4.00
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482627
5-N-[(E)-(4-bromophenyl)methylideneamino]-6-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 6871945
5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2869541
5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11676208
N-(2-methoxyphenyl)-3-methylquinoxalin-2-amine
CID 23821079
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
N-(2-methoxyphenyl)oxolan-3-amine
CID 14978001
4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148201
2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 4542663
5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296331
N-(2-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345497
4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80769228

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 633765) is 6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COc1ccccc1Nc1nc2nonc2nc1NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is LBUXUAQBTSTCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-28-16-5-3-2-4-15(16)22-18-19(25-21-20(24-18)26-29-27-21)23-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3,(H,22,24,26)(H,23,25,27).
What are the key properties of 6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 392.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-adamantyl)-5-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 633765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).