6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C16H22N8O — CID 42123719

IUPAC6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(CCc1cnn(C)c1)c1nc2nonc2nc1NC1CCCC1
InChIInChI=1S/C16H22N8O/c1-23(8-7-11-9-17-24(2)10-11)16-15(18-12-5-3-4-6-12)19-13-14(20-16)22-25-21-13/h9-10,12H,3-8H2,1-2H3,(H,18,19,21)
InChIKeyFGNGTDYKSIDZID-UHFFFAOYSA-N
MW342.41 g/mol
LogP1.78
Rot. Bonds6

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

6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 42123719) has the molecular formula C16H22N8O and a molecular weight of 342.41 g/mol. Its IUPAC name is 6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID42123719
Molecular FormulaC16H22N8O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(CCc1cnn(C)c1)c1nc2nonc2nc1NC1CCCC1
InChIInChI=1S/C16H22N8O/c1-23(8-7-11-9-17-24(2)10-11)16-15(18-12-5-3-4-6-12)19-13-14(20-16)22-25-21-13/h9-10,12H,3-8H2,1-2H3,(H,18,19,21)
InChIKeyFGNGTDYKSIDZID-UHFFFAOYSA-N
XLogP1.78
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 51.78
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-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 42123719) is 6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[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-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CN(CCc1cnn(C)c1)c1nc2nonc2nc1NC1CCCC1.
What is the InChIKey of 6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is FGNGTDYKSIDZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O/c1-23(8-7-11-9-17-24(2)10-11)16-15(18-12-5-3-4-6-12)19-13-14(20-16)22-25-21-13/h9-10,12H,3-8H2,1-2H3,(H,18,19,21).
What are the key properties of 6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 342.41 g/mol, XLogP of 1.78, 6 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-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 42123719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).