3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine

C11H15N5O2 — CID 134703199

IUPAC3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine
SMILESCOc1nccnc1NCc1noc(C(C)C)n1
InChIInChI=1S/C11H15N5O2/c1-7(2)10-15-8(16-18-10)6-14-9-11(17-3)13-5-4-12-9/h4-5,7H,6H2,1-3H3,(H,12,14)
InChIKeyJYNSPYMFVBVGEU-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.60
Rot. Bonds5

About 3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine

3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine (PubChem CID 134703199) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine
PubChem CID134703199
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine
SMILESCOc1nccnc1NCc1noc(C(C)C)n1
InChIInChI=1S/C11H15N5O2/c1-7(2)10-15-8(16-18-10)6-14-9-11(17-3)13-5-4-12-9/h4-5,7H,6H2,1-3H3,(H,12,14)
InChIKeyJYNSPYMFVBVGEU-UHFFFAOYSA-N
XLogP1.60
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine (CID 134703199) is 3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine is COc1nccnc1NCc1noc(C(C)C)n1.
What is the InChIKey of 3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine?
The InChIKey is JYNSPYMFVBVGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7(2)10-15-8(16-18-10)6-14-9-11(17-3)13-5-4-12-9/h4-5,7H,6H2,1-3H3,(H,12,14).
What are the key properties of 3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine?
3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine has a molecular weight of 249.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 134703199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).