1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one

C10H15N3O2 — CID 62938512

IUPAC1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one
SMILESCn1ccnc(NCC2CCCO2)c1=O
InChIInChI=1S/C10H15N3O2/c1-13-5-4-11-9(10(13)14)12-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)
InChIKeyFCTNTEOONSCMGS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.37
Rot. Bonds3

About 1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one

1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one (PubChem CID 62938512) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one
PubChem CID62938512
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one
SMILESCn1ccnc(NCC2CCCO2)c1=O
InChIInChI=1S/C10H15N3O2/c1-13-5-4-11-9(10(13)14)12-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)
InChIKeyFCTNTEOONSCMGS-UHFFFAOYSA-N
XLogP0.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one (CID 62938512) is 1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one is Cn1ccnc(NCC2CCCO2)c1=O.
What is the InChIKey of 1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one?
The InChIKey is FCTNTEOONSCMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-5-4-11-9(10(13)14)12-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,12).
What are the key properties of 1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one?
1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxolan-2-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 62938512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).