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

C18H20N6O3 — CID 4207312

IUPACN-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCC1CC(C)CN(c2nc3nonc3nc2Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C18H20N6O3/c1-10-5-11(2)8-24(7-10)18-17(20-15-16(21-18)23-27-22-15)19-12-3-4-13-14(6-12)26-9-25-13/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,19,20,22)
InChIKeyRMDYUGPGSMXTKF-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.97
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 4207312) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID4207312
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCC1CC(C)CN(c2nc3nonc3nc2Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C18H20N6O3/c1-10-5-11(2)8-24(7-10)18-17(20-15-16(21-18)23-27-22-15)19-12-3-4-13-14(6-12)26-9-25-13/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,19,20,22)
InChIKeyRMDYUGPGSMXTKF-UHFFFAOYSA-N
XLogP2.97
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 23910144
N-(1,3-benzodioxol-5-yl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926130
N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 4523400
N-(2,5-dimethoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 1367189
N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 75461854
5-(azepan-1-yl)-N-(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 23932743
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
4-N-(1,3-benzodioxol-5-yl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80759901
6-N-(1,3-benzodioxol-5-yl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
CID 112875985
N-(1,3-benzodioxol-5-yl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965456
N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
CID 53375206
2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine
CID 115320313

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 4207312) is N-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is CC1CC(C)CN(c2nc3nonc3nc2Nc2ccc3c(c2)OCO3)C1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is RMDYUGPGSMXTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-10-5-11(2)8-24(7-10)18-17(20-15-16(21-18)23-27-22-15)19-12-3-4-13-14(6-12)26-9-25-13/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,19,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 368.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 4207312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).