1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one

C11H17N3O2 — CID 62938870

IUPAC1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one
SMILESCn1ccnc(NCCC2CCCO2)c1=O
InChIInChI=1S/C11H17N3O2/c1-14-7-6-13-10(11(14)15)12-5-4-9-3-2-8-16-9/h6-7,9H,2-5,8H2,1H3,(H,12,13)
InChIKeyAQBXGFLSMYGTMW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.76
Rot. Bonds4

About 1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one

1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one (PubChem CID 62938870) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one
PubChem CID62938870
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one
SMILESCn1ccnc(NCCC2CCCO2)c1=O
InChIInChI=1S/C11H17N3O2/c1-14-7-6-13-10(11(14)15)12-5-4-9-3-2-8-16-9/h6-7,9H,2-5,8H2,1H3,(H,12,13)
InChIKeyAQBXGFLSMYGTMW-UHFFFAOYSA-N
XLogP0.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 129000674
N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039260
2-methyl-N-[2-(oxan-2-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104925300
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
CID 62939564
1-methyl-N-[2-(oxolan-2-yl)ethyl]pyrazol-4-amine
CID 79770820
1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078320
N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine
CID 106567466
1-methyl-3-(oxan-3-ylamino)pyrazin-2-one
CID 63363573
1-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]pyrazin-2-one
CID 103702752
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one
CID 55133105
1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one
CID 115811846

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one (CID 62938870) is 1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one is Cn1ccnc(NCCC2CCCO2)c1=O.
What is the InChIKey of 1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one?
The InChIKey is AQBXGFLSMYGTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-7-6-13-10(11(14)15)12-5-4-9-3-2-8-16-9/h6-7,9H,2-5,8H2,1H3,(H,12,13).
What are the key properties of 1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one?
1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 62938870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).