5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione

C11H10N4O3 — CID 73333701

IUPAC5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\c1ccncc1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H10N4O3/c1-6(13-7-2-4-12-5-3-7)8-9(16)14-11(18)15-10(8)17/h2-5,8H,1H3,(H2,14,15,16,17,18)/b13-6+
InChIKeyYHDMOPXDVWCKMQ-AWNIVKPZSA-N
MW246.23 g/mol
LogP0.16
Rot. Bonds2

About 5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione

5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione (PubChem CID 73333701) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
PubChem CID73333701
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\c1ccncc1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H10N4O3/c1-6(13-7-2-4-12-5-3-7)8-9(16)14-11(18)15-10(8)17/h2-5,8H,1H3,(H2,14,15,16,17,18)/b13-6+
InChIKeyYHDMOPXDVWCKMQ-AWNIVKPZSA-N
XLogP0.16
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione (CID 73333701) is 5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione is C/C(=N\c1ccncc1)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is YHDMOPXDVWCKMQ-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-6(13-7-2-4-12-5-3-7)8-9(16)14-11(18)15-10(8)17/h2-5,8H,1H3,(H2,14,15,16,17,18)/b13-6+.
What are the key properties of 5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 246.23 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 73333701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).