1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione

C12H15N3O2 — CID 82744396

IUPAC1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCCc1cccnc1CN1CCC(=O)NC1=O
InChIInChI=1S/C12H15N3O2/c1-2-9-4-3-6-13-10(9)8-15-7-5-11(16)14-12(15)17/h3-4,6H,2,5,7-8H2,1H3,(H,14,16,17)
InChIKeyLZWKIJCOHZGVFV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.09
Rot. Bonds3

About 1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione

1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 82744396) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID82744396
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCCc1cccnc1CN1CCC(=O)NC1=O
InChIInChI=1S/C12H15N3O2/c1-2-9-4-3-6-13-10(9)8-15-7-5-11(16)14-12(15)17/h3-4,6H,2,5,7-8H2,1H3,(H,14,16,17)
InChIKeyLZWKIJCOHZGVFV-UHFFFAOYSA-N
XLogP1.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione (CID 82744396) is 1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione is CCc1cccnc1CN1CCC(=O)NC1=O.
What is the InChIKey of 1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is LZWKIJCOHZGVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-9-4-3-6-13-10(9)8-15-7-5-11(16)14-12(15)17/h3-4,6H,2,5,7-8H2,1H3,(H,14,16,17).
What are the key properties of 1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 82744396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).