N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C17H27N7O2 — CID 45251405

IUPACN-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOCCN1CCCC(CNc2nc3nonc3nc2N2CCCC2)C1
InChIInChI=1S/C17H27N7O2/c1-25-10-9-23-6-4-5-13(12-23)11-18-16-17(24-7-2-3-8-24)20-15-14(19-16)21-26-22-15/h13H,2-12H2,1H3,(H,18,19,21)
InChIKeyZXRMAZYUKUVNRO-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.38
Rot. Bonds7

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

N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 45251405) has the molecular formula C17H27N7O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID45251405
Molecular FormulaC17H27N7O2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOCCN1CCCC(CNc2nc3nonc3nc2N2CCCC2)C1
InChIInChI=1S/C17H27N7O2/c1-25-10-9-23-6-4-5-13(12-23)11-18-16-17(24-7-2-3-8-24)20-15-14(19-16)21-26-22-15/h13H,2-12H2,1H3,(H,18,19,21)
InChIKeyZXRMAZYUKUVNRO-UHFFFAOYSA-N
XLogP1.38
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 45169071
N-(3-methoxypropyl)-5-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 45239112
N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine
CID 171359305
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
N-[[(3R)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide
CID 25277232
N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide
CID 25277231
6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 25451422
N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 26336739
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95874316
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907
3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
CID 63388660

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 45251405) is N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is COCCN1CCCC(CNc2nc3nonc3nc2N2CCCC2)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is ZXRMAZYUKUVNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2/c1-25-10-9-23-6-4-5-13(12-23)11-18-16-17(24-7-2-3-8-24)20-15-14(19-16)21-26-22-15/h13H,2-12H2,1H3,(H,18,19,21).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 361.45 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 45251405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).