6-amino-1-propyl-1,3-diazinane-2,5-dione

C7H13N3O2 — CID 18613713

IUPAC6-amino-1-propyl-1,3-diazinane-2,5-dione
SMILESCCCN1C(=O)NCC(=O)C1N
InChIInChI=1S/C7H13N3O2/c1-2-3-10-6(8)5(11)4-9-7(10)12/h6H,2-4,8H2,1H3,(H,9,12)
InChIKeyHGTUCJJEZBHDFF-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.72
Rot. Bonds2

About 6-amino-1-propyl-1,3-diazinane-2,5-dione

6-amino-1-propyl-1,3-diazinane-2,5-dione (PubChem CID 18613713) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 6-amino-1-propyl-1,3-diazinane-2,5-dione.

Molecular Properties

Compound Name6-amino-1-propyl-1,3-diazinane-2,5-dione
PubChem CID18613713
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name6-amino-1-propyl-1,3-diazinane-2,5-dione
SMILESCCCN1C(=O)NCC(=O)C1N
InChIInChI=1S/C7H13N3O2/c1-2-3-10-6(8)5(11)4-9-7(10)12/h6H,2-4,8H2,1H3,(H,9,12)
InChIKeyHGTUCJJEZBHDFF-UHFFFAOYSA-N
XLogP-0.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-propyl-1,3-diazinane-2,5-dione?
The IUPAC name of 6-amino-1-propyl-1,3-diazinane-2,5-dione (CID 18613713) is 6-amino-1-propyl-1,3-diazinane-2,5-dione.
What is the SMILES notation for 6-amino-1-propyl-1,3-diazinane-2,5-dione?
The canonical SMILES for 6-amino-1-propyl-1,3-diazinane-2,5-dione is CCCN1C(=O)NCC(=O)C1N.
What is the InChIKey of 6-amino-1-propyl-1,3-diazinane-2,5-dione?
The InChIKey is HGTUCJJEZBHDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-2-3-10-6(8)5(11)4-9-7(10)12/h6H,2-4,8H2,1H3,(H,9,12).
What are the key properties of 6-amino-1-propyl-1,3-diazinane-2,5-dione?
6-amino-1-propyl-1,3-diazinane-2,5-dione has a molecular weight of 171.20 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-propyl-1,3-diazinane-2,5-dione is sourced from PubChem (CID 18613713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).