N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C16H18N6O — CID 671936

IUPACN-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESC[C@H](Nc1nc2nonc2nc1N1CCCC1)c1ccccc1
InChIInChI=1S/C16H18N6O/c1-11(12-7-3-2-4-8-12)17-15-16(22-9-5-6-10-22)19-14-13(18-15)20-23-21-14/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,18,20)/t11-/m0/s1
InChIKeyXLXYDGKKCODSDR-NSHDSACASA-N
MW310.36 g/mol
LogP2.79
Rot. Bonds4

About N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 671936) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID671936
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESC[C@H](Nc1nc2nonc2nc1N1CCCC1)c1ccccc1
InChIInChI=1S/C16H18N6O/c1-11(12-7-3-2-4-8-12)17-15-16(22-9-5-6-10-22)19-14-13(18-15)20-23-21-14/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,18,20)/t11-/m0/s1
InChIKeyXLXYDGKKCODSDR-NSHDSACASA-N
XLogP2.79
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 671936) is N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is C[C@H](Nc1nc2nonc2nc1N1CCCC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is XLXYDGKKCODSDR-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N6O/c1-11(12-7-3-2-4-8-12)17-15-16(22-9-5-6-10-22)19-14-13(18-15)20-23-21-14/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,18,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 310.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 671936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).