6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C17H27N7O2 — CID 25301201

IUPAC6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(CCCN1CCOCC1)c1nc2nonc2nc1NC1CCCC1
InChIInChI=1S/C17H27N7O2/c1-23(7-4-8-24-9-11-25-12-10-24)17-16(18-13-5-2-3-6-13)19-14-15(20-17)22-26-21-14/h13H,2-12H2,1H3,(H,18,19,21)
InChIKeyFJHUOQZPKULVJP-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.53
Rot. Bonds7

About 6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 25301201) has the molecular formula C17H27N7O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID25301201
Molecular FormulaC17H27N7O2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC Name6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(CCCN1CCOCC1)c1nc2nonc2nc1NC1CCCC1
InChIInChI=1S/C17H27N7O2/c1-23(7-4-8-24-9-11-25-12-10-24)17-16(18-13-5-2-3-6-13)19-14-15(20-17)22-26-21-14/h13H,2-12H2,1H3,(H,18,19,21)
InChIKeyFJHUOQZPKULVJP-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 25301201) is 6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CN(CCCN1CCOCC1)c1nc2nonc2nc1NC1CCCC1.
What is the InChIKey of 6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is FJHUOQZPKULVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2/c1-23(7-4-8-24-9-11-25-12-10-24)17-16(18-13-5-2-3-6-13)19-14-15(20-17)22-26-21-14/h13H,2-12H2,1H3,(H,18,19,21).
What are the key properties of 6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 361.45 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 25301201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).