5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine

C7H7ClN4O2 — CID 146198908

IUPAC5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCC(C)Oc1nc2nonc2nc1Cl
InChIInChI=1S/C7H7ClN4O2/c1-3(2)13-7-4(8)9-5-6(10-7)12-14-11-5/h3H,1-2H3
InChIKeyYCFRTADSFFPMST-UHFFFAOYSA-N
MW214.61 g/mol
LogP1.45
Rot. Bonds2

About 5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine

5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 146198908) has the molecular formula C7H7ClN4O2 and a molecular weight of 214.61 g/mol. Its IUPAC name is 5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID146198908
Molecular FormulaC7H7ClN4O2
Molecular Weight214.61 g/mol
Exact Mass214.03
IUPAC Name5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCC(C)Oc1nc2nonc2nc1Cl
InChIInChI=1S/C7H7ClN4O2/c1-3(2)13-7-4(8)9-5-6(10-7)12-14-11-5/h3H,1-2H3
InChIKeyYCFRTADSFFPMST-UHFFFAOYSA-N
XLogP1.45
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 146198908) is 5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine is CC(C)Oc1nc2nonc2nc1Cl.
What is the InChIKey of 5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is YCFRTADSFFPMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O2/c1-3(2)13-7-4(8)9-5-6(10-7)12-14-11-5/h3H,1-2H3.
What are the key properties of 5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine?
5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 214.61 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 146198908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).