5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C12H11N5O3 — CID 1385785

IUPAC5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1ccc(Nc2nc3nonc3nc2OC)cc1
InChIInChI=1S/C12H11N5O3/c1-18-8-5-3-7(4-6-8)13-11-12(19-2)15-10-9(14-11)16-20-17-10/h3-6H,1-2H3,(H,13,14,16)
InChIKeyVLQGFXJTHGEKIZ-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.77
Rot. Bonds4

About 5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 1385785) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID1385785
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1ccc(Nc2nc3nonc3nc2OC)cc1
InChIInChI=1S/C12H11N5O3/c1-18-8-5-3-7(4-6-8)13-11-12(19-2)15-10-9(14-11)16-20-17-10/h3-6H,1-2H3,(H,13,14,16)
InChIKeyVLQGFXJTHGEKIZ-UHFFFAOYSA-N
XLogP1.77
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 3943340
5-methoxy-N-(4-propan-2-ylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 146200585
5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 3381891
5-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 135387146
5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11676208
5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 739859
5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 169155542
2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11113034
5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482684
2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 15629175
4-N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43518501
5-N,6-N-bis(3,4-dichlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3094576

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 1385785) is 5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is COc1ccc(Nc2nc3nonc3nc2OC)cc1.
What is the InChIKey of 5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is VLQGFXJTHGEKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-18-8-5-3-7(4-6-8)13-11-12(19-2)15-10-9(14-11)16-20-17-10/h3-6H,1-2H3,(H,13,14,16).
What are the key properties of 5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 273.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 1385785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).