1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione

C10H11N3O3 — CID 155261434

IUPAC1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione
SMILESCn1cccc(N2CCC(=O)NC2=O)c1=O
InChIInChI=1S/C10H11N3O3/c1-12-5-2-3-7(9(12)15)13-6-4-8(14)11-10(13)16/h2-3,5H,4,6H2,1H3,(H,11,14,16)
InChIKeyPVLHPRSYUHGTIR-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.17
Rot. Bonds1

About 1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione

1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione (PubChem CID 155261434) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione
PubChem CID155261434
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione
SMILESCn1cccc(N2CCC(=O)NC2=O)c1=O
InChIInChI=1S/C10H11N3O3/c1-12-5-2-3-7(9(12)15)13-6-4-8(14)11-10(13)16/h2-3,5H,4,6H2,1H3,(H,11,14,16)
InChIKeyPVLHPRSYUHGTIR-UHFFFAOYSA-N
XLogP-0.17
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione (CID 155261434) is 1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione is Cn1cccc(N2CCC(=O)NC2=O)c1=O.
What is the InChIKey of 1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione?
The InChIKey is PVLHPRSYUHGTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-12-5-2-3-7(9(12)15)13-6-4-8(14)11-10(13)16/h2-3,5H,4,6H2,1H3,(H,11,14,16).
What are the key properties of 1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione?
1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione has a molecular weight of 221.22 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 155261434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).