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

C17H21N7O — CID 26336739

IUPACN-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESC[C@H]1CN(c2nc3nonc3nc2NCc2ccccc2)CCN1C
InChIInChI=1S/C17H21N7O/c1-12-11-24(9-8-23(12)2)17-16(18-10-13-6-4-3-5-7-13)19-14-15(20-17)22-25-21-14/h3-7,12H,8-11H2,1-2H3,(H,18,19,21)/t12-/m0/s1
InChIKeyIXUPSGXGJRODBV-LBPRGKRZSA-N
MW339.40 g/mol
LogP1.77
Rot. Bonds4

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

N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 26336739) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID26336739
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESC[C@H]1CN(c2nc3nonc3nc2NCc2ccccc2)CCN1C
InChIInChI=1S/C17H21N7O/c1-12-11-24(9-8-23(12)2)17-16(18-10-13-6-4-3-5-7-13)19-14-15(20-17)22-25-21-14/h3-7,12H,8-11H2,1-2H3,(H,18,19,21)/t12-/m0/s1
InChIKeyIXUPSGXGJRODBV-LBPRGKRZSA-N
XLogP1.77
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 26336739) is N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is C[C@H]1CN(c2nc3nonc3nc2NCc2ccccc2)CCN1C.
What is the InChIKey of N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is IXUPSGXGJRODBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-11-24(9-8-23(12)2)17-16(18-10-13-6-4-3-5-7-13)19-14-15(20-17)22-25-21-14/h3-7,12H,8-11H2,1-2H3,(H,18,19,21)/t12-/m0/s1.
What are the key properties of N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 339.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 26336739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).