3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one

C15H18ClN3O2 — CID 96528162

IUPAC3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one
SMILESCC[C@H](CNc1nccn(C)c1=O)Oc1ccccc1Cl
InChIInChI=1S/C15H18ClN3O2/c1-3-11(21-13-7-5-4-6-12(13)16)10-18-14-15(20)19(2)9-8-17-14/h4-9,11H,3,10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyRKJANNNFLVHIGN-LLVKDONJSA-N
MW307.78 g/mol
LogP2.70
Rot. Bonds6

About 3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one

3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one (PubChem CID 96528162) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one
PubChem CID96528162
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one
SMILESCC[C@H](CNc1nccn(C)c1=O)Oc1ccccc1Cl
InChIInChI=1S/C15H18ClN3O2/c1-3-11(21-13-7-5-4-6-12(13)16)10-18-14-15(20)19(2)9-8-17-14/h4-9,11H,3,10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyRKJANNNFLVHIGN-LLVKDONJSA-N
XLogP2.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one (CID 96528162) is 3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one is CC[C@H](CNc1nccn(C)c1=O)Oc1ccccc1Cl.
What is the InChIKey of 3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one?
The InChIKey is RKJANNNFLVHIGN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-11(21-13-7-5-4-6-12(13)16)10-18-14-15(20)19(2)9-8-17-14/h4-9,11H,3,10H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one?
3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one has a molecular weight of 307.78 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 96528162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).