5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione

C9H15N3O2 — CID 138111717

IUPAC5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)NC(=O)C1(CC)CCC
InChIInChI=1S/C9H15N3O2/c1-3-5-9(4-2)6(10)11-8(14)12-7(9)13/h3-5H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyZZJZVYTTYNGCTC-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.00
Rot. Bonds3

About 5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione

5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione (PubChem CID 138111717) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione
PubChem CID138111717
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)NC(=O)C1(CC)CCC
InChIInChI=1S/C9H15N3O2/c1-3-5-9(4-2)6(10)11-8(14)12-7(9)13/h3-5H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyZZJZVYTTYNGCTC-UHFFFAOYSA-N
XLogP1.00
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione (CID 138111717) is 5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione is [H]/N=C1\NC(=O)NC(=O)C1(CC)CCC.
What is the InChIKey of 5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione?
The InChIKey is ZZJZVYTTYNGCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-5-9(4-2)6(10)11-8(14)12-7(9)13/h3-5H2,1-2H3,(H3,10,11,12,13,14).
What are the key properties of 5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione?
5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 138111717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).