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

C7H11N3O2 — CID 140537496

IUPAC6-imino-3-propyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CC(=O)N(CCC)C(=O)N1
InChIInChI=1S/C7H11N3O2/c1-2-3-10-6(11)4-5(8)9-7(10)12/h2-4H2,1H3,(H2,8,9,12)
InChIKeyMTACCJJIWIHTGD-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.32
Rot. Bonds2

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

6-imino-3-propyl-1,3-diazinane-2,4-dione (PubChem CID 140537496) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-imino-3-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-imino-3-propyl-1,3-diazinane-2,4-dione
PubChem CID140537496
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-imino-3-propyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CC(=O)N(CCC)C(=O)N1
InChIInChI=1S/C7H11N3O2/c1-2-3-10-6(11)4-5(8)9-7(10)12/h2-4H2,1H3,(H2,8,9,12)
InChIKeyMTACCJJIWIHTGD-UHFFFAOYSA-N
XLogP0.32
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
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 6-imino-3-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-imino-3-propyl-1,3-diazinane-2,4-dione (CID 140537496) is 6-imino-3-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-imino-3-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-imino-3-propyl-1,3-diazinane-2,4-dione is [H]/N=C1\CC(=O)N(CCC)C(=O)N1.
What is the InChIKey of 6-imino-3-propyl-1,3-diazinane-2,4-dione?
The InChIKey is MTACCJJIWIHTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-3-10-6(11)4-5(8)9-7(10)12/h2-4H2,1H3,(H2,8,9,12).
What are the key properties of 6-imino-3-propyl-1,3-diazinane-2,4-dione?
6-imino-3-propyl-1,3-diazinane-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-3-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 140537496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).