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

C16H25N7O2 — CID 45169071

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOCCN1CCC(CNc2nc3nonc3nc2N2CCCC2)C1
InChIInChI=1S/C16H25N7O2/c1-24-9-8-22-7-4-12(11-22)10-17-15-16(23-5-2-3-6-23)19-14-13(18-15)20-25-21-14/h12H,2-11H2,1H3,(H,17,18,20)
InChIKeyQPNMIKOJURNMQA-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.99
Rot. Bonds7

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

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 45169071) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID45169071
Molecular FormulaC16H25N7O2
Molecular Weight347.42 g/mol
Exact Mass347.21
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOCCN1CCC(CNc2nc3nonc3nc2N2CCCC2)C1
InChIInChI=1S/C16H25N7O2/c1-24-9-8-22-7-4-12(11-22)10-17-15-16(23-5-2-3-6-23)19-14-13(18-15)20-25-21-14/h12H,2-11H2,1H3,(H,17,18,20)
InChIKeyQPNMIKOJURNMQA-UHFFFAOYSA-N
XLogP0.99
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-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)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 45169071) is N-[[1-(2-methoxyethyl)pyrrolidin-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)pyrrolidin-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)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is COCCN1CCC(CNc2nc3nonc3nc2N2CCCC2)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is QPNMIKOJURNMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-24-9-8-22-7-4-12(11-22)10-17-15-16(23-5-2-3-6-23)19-14-13(18-15)20-25-21-14/h12H,2-11H2,1H3,(H,17,18,20).
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 347.42 g/mol, XLogP of 0.99, 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)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 45169071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).