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

C20H20N6O5 — CID 11676208

IUPAC5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOc1ccc(Nc2nc3nonc3nc2Nc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H20N6O5/c1-27-13-7-5-11(9-15(13)29-3)21-17-18(24-20-19(23-17)25-31-26-20)22-12-6-8-14(28-2)16(10-12)30-4/h5-10H,1-4H3,(H,21,23,25)(H,22,24,26)
InChIKeyHVGAUGMGYMRUMP-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.53
Rot. Bonds8

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

5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 11676208) has the molecular formula C20H20N6O5 and a molecular weight of 424.42 g/mol. Its IUPAC name is 5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID11676208
Molecular FormulaC20H20N6O5
Molecular Weight424.42 g/mol
Exact Mass424.15
IUPAC Name5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOc1ccc(Nc2nc3nonc3nc2Nc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H20N6O5/c1-27-13-7-5-11(9-15(13)29-3)21-17-18(24-20-19(23-17)25-31-26-20)22-12-6-8-14(28-2)16(10-12)30-4/h5-10H,1-4H3,(H,21,23,25)(H,22,24,26)
InChIKeyHVGAUGMGYMRUMP-UHFFFAOYSA-N
XLogP3.53
TPSA125.68 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70165713
5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 3381891
5-N,6-N-bis(3,4-dichlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3094576
5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 1385785
5-N-[(5-bromo-2-methoxyphenyl)methylideneamino]-6-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 85032938
N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 3943340
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
CID 156575619
6-N-(3-bromophenyl)-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4913938
4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426983
N-(3,4-dimethoxyphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80911783
N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80920092
5-methoxy-N-(4-propan-2-ylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 146200585

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 11676208) is 5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COc1ccc(Nc2nc3nonc3nc2Nc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is HVGAUGMGYMRUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O5/c1-27-13-7-5-11(9-15(13)29-3)21-17-18(24-20-19(23-17)25-31-26-20)22-12-6-8-14(28-2)16(10-12)30-4/h5-10H,1-4H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 424.42 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 11676208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).