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

C15H16N6O2 — CID 785747

IUPACN-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCc1ccccc1Nc1nc2nonc2nc1N1CCOCC1
InChIInChI=1S/C15H16N6O2/c1-10-4-2-3-5-11(10)16-14-15(21-6-8-22-9-7-21)18-13-12(17-14)19-23-20-13/h2-5H,6-9H2,1H3,(H,16,17,19)
InChIKeyFWHRXMCLHCMSHF-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.90
Rot. Bonds3

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

N-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 785747) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID785747
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCc1ccccc1Nc1nc2nonc2nc1N1CCOCC1
InChIInChI=1S/C15H16N6O2/c1-10-4-2-3-5-11(10)16-14-15(21-6-8-22-9-7-21)18-13-12(17-14)19-23-20-13/h2-5H,6-9H2,1H3,(H,16,17,19)
InChIKeyFWHRXMCLHCMSHF-UHFFFAOYSA-N
XLogP1.90
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 785747) is N-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is Cc1ccccc1Nc1nc2nonc2nc1N1CCOCC1.
What is the InChIKey of N-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is FWHRXMCLHCMSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-10-4-2-3-5-11(10)16-14-15(21-6-8-22-9-7-21)18-13-12(17-14)19-23-20-13/h2-5H,6-9H2,1H3,(H,16,17,19).
What are the key properties of N-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 312.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-morpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 785747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).