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

C14H15N5O2 — CID 146200506

IUPAC5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESCCCCc1ccc(Nc2nc3nonc3[nH]c2=O)cc1
InChIInChI=1S/C14H15N5O2/c1-2-3-4-9-5-7-10(8-6-9)15-13-14(20)17-12-11(16-13)18-21-19-12/h5-8H,2-4H2,1H3,(H,15,16,18)(H,17,19,20)
InChIKeyYOTSEBKRACCIGS-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.39
Rot. Bonds5

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

5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (PubChem CID 146200506) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.

Molecular Properties

Compound Name5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
PubChem CID146200506
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESCCCCc1ccc(Nc2nc3nonc3[nH]c2=O)cc1
InChIInChI=1S/C14H15N5O2/c1-2-3-4-9-5-7-10(8-6-9)15-13-14(20)17-12-11(16-13)18-21-19-12/h5-8H,2-4H2,1H3,(H,15,16,18)(H,17,19,20)
InChIKeyYOTSEBKRACCIGS-UHFFFAOYSA-N
XLogP2.39
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The IUPAC name of 5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (CID 146200506) is 5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.
What is the SMILES notation for 5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The canonical SMILES for 5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is CCCCc1ccc(Nc2nc3nonc3[nH]c2=O)cc1.
What is the InChIKey of 5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The InChIKey is YOTSEBKRACCIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-2-3-4-9-5-7-10(8-6-9)15-13-14(20)17-12-11(16-13)18-21-19-12/h5-8H,2-4H2,1H3,(H,15,16,18)(H,17,19,20).
What are the key properties of 5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one has a molecular weight of 285.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is sourced from PubChem (CID 146200506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).