5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione

C7H12N4O2 — CID 173382650

IUPAC5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)N(C)C(=O)C1NCC
InChIInChI=1S/C7H12N4O2/c1-3-9-4-5(8)10-7(13)11(2)6(4)12/h4,9H,3H2,1-2H3,(H2,8,10,13)
InChIKeyAZUNLKCJYPTQBI-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.88
Rot. Bonds2

About 5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione

5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione (PubChem CID 173382650) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione
PubChem CID173382650
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)N(C)C(=O)C1NCC
InChIInChI=1S/C7H12N4O2/c1-3-9-4-5(8)10-7(13)11(2)6(4)12/h4,9H,3H2,1-2H3,(H2,8,10,13)
InChIKeyAZUNLKCJYPTQBI-UHFFFAOYSA-N
XLogP-0.88
TPSA85.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione (CID 173382650) is 5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione is [H]/N=C1\NC(=O)N(C)C(=O)C1NCC.
What is the InChIKey of 5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione?
The InChIKey is AZUNLKCJYPTQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-9-4-5(8)10-7(13)11(2)6(4)12/h4,9H,3H2,1-2H3,(H2,8,10,13).
What are the key properties of 5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione?
5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione has a molecular weight of 184.20 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 173382650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).