1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione

C10H15N3O3 — CID 112597993

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione
SMILESCN(CCN1C(=O)CC(=O)NC1=O)C1CC1
InChIInChI=1S/C10H15N3O3/c1-12(7-2-3-7)4-5-13-9(15)6-8(14)11-10(13)16/h7H,2-6H2,1H3,(H,11,14,16)
InChIKeyXTTKVFCPOKBEDD-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.45
Rot. Bonds4

About 1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione

1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 112597993) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione
PubChem CID112597993
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione
SMILESCN(CCN1C(=O)CC(=O)NC1=O)C1CC1
InChIInChI=1S/C10H15N3O3/c1-12(7-2-3-7)4-5-13-9(15)6-8(14)11-10(13)16/h7H,2-6H2,1H3,(H,11,14,16)
InChIKeyXTTKVFCPOKBEDD-UHFFFAOYSA-N
XLogP-0.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione (CID 112597993) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione is CN(CCN1C(=O)CC(=O)NC1=O)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is XTTKVFCPOKBEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12(7-2-3-7)4-5-13-9(15)6-8(14)11-10(13)16/h7H,2-6H2,1H3,(H,11,14,16).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione?
1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 225.25 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112597993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).