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

C11H8IN5O2 — CID 3943340

IUPACN-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1nc2nonc2nc1Nc1ccc(I)cc1
InChIInChI=1S/C11H8IN5O2/c1-18-11-10(13-7-4-2-6(12)3-5-7)14-8-9(15-11)17-19-16-8/h2-5H,1H3,(H,13,14,16)
InChIKeyGQGZHILMORGXQY-UHFFFAOYSA-N
MW369.12 g/mol
LogP2.37
Rot. Bonds3

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

N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 3943340) has the molecular formula C11H8IN5O2 and a molecular weight of 369.12 g/mol. Its IUPAC name is N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID3943340
Molecular FormulaC11H8IN5O2
Molecular Weight369.12 g/mol
Exact Mass368.97
IUPAC NameN-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1nc2nonc2nc1Nc1ccc(I)cc1
InChIInChI=1S/C11H8IN5O2/c1-18-11-10(13-7-4-2-6(12)3-5-7)14-8-9(15-11)17-19-16-8/h2-5H,1H3,(H,13,14,16)
InChIKeyGQGZHILMORGXQY-UHFFFAOYSA-N
XLogP2.37
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-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,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11676208
5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 155560200
5-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-6-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 6322795
5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 739859
5-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 135387146
5-chloro-N-(4-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 911346
5-N,6-N-bis(3,4-dichlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3094576
5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 146200467
5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2844516

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 3943340) is N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is COc1nc2nonc2nc1Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is GQGZHILMORGXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN5O2/c1-18-11-10(13-7-4-2-6(12)3-5-7)14-8-9(15-11)17-19-16-8/h2-5H,1H3,(H,13,14,16).
What are the key properties of N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 369.12 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 3943340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).