3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one

C9H15N3O2 — CID 64538205

IUPAC3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one
SMILESCn1ccnc(OCC(C)(C)N)c1=O
InChIInChI=1S/C9H15N3O2/c1-9(2,10)6-14-7-8(13)12(3)5-4-11-7/h4-5H,6,10H2,1-3H3
InChIKeyILWFDTPJBAANBW-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.10
Rot. Bonds3

About 3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one

3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one (PubChem CID 64538205) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one
PubChem CID64538205
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one
SMILESCn1ccnc(OCC(C)(C)N)c1=O
InChIInChI=1S/C9H15N3O2/c1-9(2,10)6-14-7-8(13)12(3)5-4-11-7/h4-5H,6,10H2,1-3H3
InChIKeyILWFDTPJBAANBW-UHFFFAOYSA-N
XLogP-0.10
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one?
The IUPAC name of 3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one (CID 64538205) is 3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one is Cn1ccnc(OCC(C)(C)N)c1=O.
What is the InChIKey of 3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one?
The InChIKey is ILWFDTPJBAANBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,10)6-14-7-8(13)12(3)5-4-11-7/h4-5H,6,10H2,1-3H3.
What are the key properties of 3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one?
3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one has a molecular weight of 197.24 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one is sourced from PubChem (CID 64538205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).