5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

C10H15N3O4 — CID 7461419

IUPAC5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCCO)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H15N3O4/c1-2-6(11-4-3-5-14)7-8(15)12-10(17)13-9(7)16/h7,14H,2-5H2,1H3,(H2,12,13,15,16,17)/b11-6+
InChIKeyPOVIVZNZJXBHNG-IZZDOVSWSA-N
MW241.25 g/mol
LogP-0.80
Rot. Bonds5

About 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7461419) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7461419
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCCO)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H15N3O4/c1-2-6(11-4-3-5-14)7-8(15)12-10(17)13-9(7)16/h7,14H,2-5H2,1H3,(H2,12,13,15,16,17)/b11-6+
InChIKeyPOVIVZNZJXBHNG-IZZDOVSWSA-N
XLogP-0.80
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7460784
5-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461036
1-cyclohexyl-5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461606
(5R)-1-butyl-5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461620
5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 7461731
(5R)-1-butyl-5-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461735
(5R)-1-butyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461884
5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461971
5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7474301
5-(C-ethyl-N-hexylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
CID 7474507
3-[1-(2,4,6-Trioxo-1,3-diazinan-5-yl)ethylideneamino]propanoic acid
CID 11230208

Frequently Asked Questions

What is the IUPAC name of 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7461419) is 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is CC/C(=N\CCCO)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is POVIVZNZJXBHNG-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-2-6(11-4-3-5-14)7-8(15)12-10(17)13-9(7)16/h7,14H,2-5H2,1H3,(H2,12,13,15,16,17)/b11-6+.
What are the key properties of 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 241.25 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).