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

C11H11N7O2 — CID 3381891

IUPAC5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1ccc(Nc2nc3nonc3nc2NN)cc1
InChIInChI=1S/C11H11N7O2/c1-19-7-4-2-6(3-5-7)13-8-9(16-12)15-11-10(14-8)17-20-18-11/h2-5H,12H2,1H3,(H,13,14,17)(H,15,16,18)
InChIKeyROSUWJDHBWMKQG-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.05
Rot. Bonds4

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

5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 3381891) has the molecular formula C11H11N7O2 and a molecular weight of 273.26 g/mol. Its IUPAC name is 5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID3381891
Molecular FormulaC11H11N7O2
Molecular Weight273.26 g/mol
Exact Mass273.10
IUPAC Name5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1ccc(Nc2nc3nonc3nc2NN)cc1
InChIInChI=1S/C11H11N7O2/c1-19-7-4-2-6(3-5-7)13-8-9(16-12)15-11-10(14-8)17-20-18-11/h2-5H,12H2,1H3,(H,13,14,17)(H,15,16,18)
InChIKeyROSUWJDHBWMKQG-UHFFFAOYSA-N
XLogP1.05
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 1385785
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
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-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 169155542
5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482684
2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11113034
5-N,6-N-bis(3,4-dichlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3094576
4-N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43518501
5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2844516
5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 739859

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 3381891) is 5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is COc1ccc(Nc2nc3nonc3nc2NN)cc1.
What is the InChIKey of 5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is ROSUWJDHBWMKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O2/c1-19-7-4-2-6(3-5-7)13-8-9(16-12)15-11-10(14-8)17-20-18-11/h2-5H,12H2,1H3,(H,13,14,17)(H,15,16,18).
What are the key properties of 5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 273.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 3381891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).