N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C14H13ClN6O2 — CID 684951

IUPACN-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESClc1cccc(Nc2nc3nonc3nc2N2CCOCC2)c1
InChIInChI=1S/C14H13ClN6O2/c15-9-2-1-3-10(8-9)16-13-14(21-4-6-22-7-5-21)18-12-11(17-13)19-23-20-12/h1-3,8H,4-7H2,(H,16,17,19)
InChIKeyOUSVHKSDMOOTSI-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.25
Rot. Bonds3

About N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 684951) has the molecular formula C14H13ClN6O2 and a molecular weight of 332.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID684951
Molecular FormulaC14H13ClN6O2
Molecular Weight332.75 g/mol
Exact Mass332.08
IUPAC NameN-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESClc1cccc(Nc2nc3nonc3nc2N2CCOCC2)c1
InChIInChI=1S/C14H13ClN6O2/c15-9-2-1-3-10(8-9)16-13-14(21-4-6-22-7-5-21)18-12-11(17-13)19-23-20-12/h1-3,8H,4-7H2,(H,16,17,19)
InChIKeyOUSVHKSDMOOTSI-UHFFFAOYSA-N
XLogP2.25
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 684951) is N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is Clc1cccc(Nc2nc3nonc3nc2N2CCOCC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is OUSVHKSDMOOTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O2/c15-9-2-1-3-10(8-9)16-13-14(21-4-6-22-7-5-21)18-12-11(17-13)19-23-20-12/h1-3,8H,4-7H2,(H,16,17,19).
What are the key properties of N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 332.75 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 684951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).