5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one

C10H6ClN5O2 — CID 135403347

IUPAC5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESO=c1[nH]c2nonc2nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C10H6ClN5O2/c11-5-1-3-6(4-2-5)12-9-10(17)14-8-7(13-9)15-18-16-8/h1-4H,(H,12,13,15)(H,14,16,17)
InChIKeySILQJBLRYRNDDC-UHFFFAOYSA-N
MW263.64 g/mol
LogP1.70
Rot. Bonds2

About 5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one

5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (PubChem CID 135403347) has the molecular formula C10H6ClN5O2 and a molecular weight of 263.64 g/mol. Its IUPAC name is 5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.

Molecular Properties

Compound Name5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
PubChem CID135403347
Molecular FormulaC10H6ClN5O2
Molecular Weight263.64 g/mol
Exact Mass263.02
IUPAC Name5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESO=c1[nH]c2nonc2nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C10H6ClN5O2/c11-5-1-3-6(4-2-5)12-9-10(17)14-8-7(13-9)15-18-16-8/h1-4H,(H,12,13,15)(H,14,16,17)
InChIKeySILQJBLRYRNDDC-UHFFFAOYSA-N
XLogP1.70
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.64
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The IUPAC name of 5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (CID 135403347) is 5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.
What is the SMILES notation for 5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The canonical SMILES for 5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is O=c1[nH]c2nonc2nc1Nc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The InChIKey is SILQJBLRYRNDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O2/c11-5-1-3-6(4-2-5)12-9-10(17)14-8-7(13-9)15-18-16-8/h1-4H,(H,12,13,15)(H,14,16,17).
What are the key properties of 5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one has a molecular weight of 263.64 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is sourced from PubChem (CID 135403347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).