N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C17H20N6O2 — CID 1238729

IUPACN-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1ccccc1Nc1nc2nonc2nc1N1CCC(C)CC1
InChIInChI=1S/C17H20N6O2/c1-11-7-9-23(10-8-11)17-16(19-14-15(20-17)22-25-21-14)18-12-5-3-4-6-13(12)24-2/h3-6,11H,7-10H2,1-2H3,(H,18,19,21)
InChIKeyBVIPWOJDVXCPCN-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.00
Rot. Bonds4

About N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 1238729) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID1238729
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1ccccc1Nc1nc2nonc2nc1N1CCC(C)CC1
InChIInChI=1S/C17H20N6O2/c1-11-7-9-23(10-8-11)17-16(19-14-15(20-17)22-25-21-14)18-12-5-3-4-6-13(12)24-2/h3-6,11H,7-10H2,1-2H3,(H,18,19,21)
InChIKeyBVIPWOJDVXCPCN-UHFFFAOYSA-N
XLogP3.00
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 1238729) is N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is COc1ccccc1Nc1nc2nonc2nc1N1CCC(C)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is BVIPWOJDVXCPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-7-9-23(10-8-11)17-16(19-14-15(20-17)22-25-21-14)18-12-5-3-4-6-13(12)24-2/h3-6,11H,7-10H2,1-2H3,(H,18,19,21).
What are the key properties of N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 340.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 1238729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).