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

C14H22N6O2 — CID 42194612

IUPAC6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESCOCCN(C)c1nc2nonc2nc1N1CCCCCC1
InChIInChI=1S/C14H22N6O2/c1-19(9-10-21-2)13-14(20-7-5-3-4-6-8-20)16-12-11(15-13)17-22-18-12/h3-10H2,1-2H3
InChIKeyKXJALFWLERMBHN-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.48
Rot. Bonds5

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

6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (PubChem CID 42194612) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
PubChem CID42194612
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESCOCCN(C)c1nc2nonc2nc1N1CCCCCC1
InChIInChI=1S/C14H22N6O2/c1-19(9-10-21-2)13-14(20-7-5-3-4-6-8-20)16-12-11(15-13)17-22-18-12/h3-10H2,1-2H3
InChIKeyKXJALFWLERMBHN-UHFFFAOYSA-N
XLogP1.48
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The IUPAC name of 6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (CID 42194612) is 6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is COCCN(C)c1nc2nonc2nc1N1CCCCCC1.
What is the InChIKey of 6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The InChIKey is KXJALFWLERMBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-19(9-10-21-2)13-14(20-7-5-3-4-6-8-20)16-12-11(15-13)17-22-18-12/h3-10H2,1-2H3.
What are the key properties of 6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine has a molecular weight of 306.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(2-methoxyethyl)-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 42194612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).