6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione

C9H17N3O2 — CID 76845555

IUPAC6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1C(=O)CC(N)N(CC)C1=O
InChIInChI=1S/C9H17N3O2/c1-3-5-12-8(13)6-7(10)11(4-2)9(12)14/h7H,3-6,10H2,1-2H3
InChIKeyHCRRUQZRESGQPP-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.36
Rot. Bonds3

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

6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione (PubChem CID 76845555) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione
PubChem CID76845555
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1C(=O)CC(N)N(CC)C1=O
InChIInChI=1S/C9H17N3O2/c1-3-5-12-8(13)6-7(10)11(4-2)9(12)14/h7H,3-6,10H2,1-2H3
InChIKeyHCRRUQZRESGQPP-UHFFFAOYSA-N
XLogP0.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione (CID 76845555) is 6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione is CCCN1C(=O)CC(N)N(CC)C1=O.
What is the InChIKey of 6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione?
The InChIKey is HCRRUQZRESGQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-3-5-12-8(13)6-7(10)11(4-2)9(12)14/h7H,3-6,10H2,1-2H3.
What are the key properties of 6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione?
6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione has a molecular weight of 199.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-3-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 76845555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).