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

C10H7ClN6O — CID 154629495

IUPAC5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESNc1nc2nonc2nc1Nc1ccccc1Cl
InChIInChI=1S/C10H7ClN6O/c11-5-3-1-2-4-6(5)13-8-7(12)14-9-10(15-8)17-18-16-9/h1-4H,(H2,12,14,16)(H,13,15,17)
InChIKeyWCORHHBKFVCREC-UHFFFAOYSA-N
MW262.66 g/mol
LogP1.99
Rot. Bonds2

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

5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 154629495) has the molecular formula C10H7ClN6O and a molecular weight of 262.66 g/mol. Its IUPAC name is 5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID154629495
Molecular FormulaC10H7ClN6O
Molecular Weight262.66 g/mol
Exact Mass262.04
IUPAC Name5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESNc1nc2nonc2nc1Nc1ccccc1Cl
InChIInChI=1S/C10H7ClN6O/c11-5-3-1-2-4-6(5)13-8-7(12)14-9-10(15-8)17-18-16-9/h1-4H,(H2,12,14,16)(H,13,15,17)
InChIKeyWCORHHBKFVCREC-UHFFFAOYSA-N
XLogP1.99
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 154629495) is 5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Nc1nc2nonc2nc1Nc1ccccc1Cl.
What is the InChIKey of 5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is WCORHHBKFVCREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6O/c11-5-3-1-2-4-6(5)13-8-7(12)14-9-10(15-8)17-18-16-9/h1-4H,(H2,12,14,16)(H,13,15,17).
What are the key properties of 5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 262.66 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 154629495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).