1-(3-aminopropyl)-1,3-diazinane-2,4-dione

C7H13N3O2 — CID 69256685

IUPAC1-(3-aminopropyl)-1,3-diazinane-2,4-dione
SMILESNCCCN1CCC(=O)NC1=O
InChIInChI=1S/C7H13N3O2/c8-3-1-4-10-5-2-6(11)9-7(10)12/h1-5,8H2,(H,9,11,12)
InChIKeyHQWKGOKOFYKUBN-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.72
Rot. Bonds3

About 1-(3-aminopropyl)-1,3-diazinane-2,4-dione

1-(3-aminopropyl)-1,3-diazinane-2,4-dione (PubChem CID 69256685) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3-aminopropyl)-1,3-diazinane-2,4-dione
PubChem CID69256685
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-(3-aminopropyl)-1,3-diazinane-2,4-dione
SMILESNCCCN1CCC(=O)NC1=O
InChIInChI=1S/C7H13N3O2/c8-3-1-4-10-5-2-6(11)9-7(10)12/h1-5,8H2,(H,9,11,12)
InChIKeyHQWKGOKOFYKUBN-UHFFFAOYSA-N
XLogP-0.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 1-(3-aminopropyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3-aminopropyl)-1,3-diazinane-2,4-dione (CID 69256685) is 1-(3-aminopropyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3-aminopropyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3-aminopropyl)-1,3-diazinane-2,4-dione is NCCCN1CCC(=O)NC1=O.
What is the InChIKey of 1-(3-aminopropyl)-1,3-diazinane-2,4-dione?
The InChIKey is HQWKGOKOFYKUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-3-1-4-10-5-2-6(11)9-7(10)12/h1-5,8H2,(H,9,11,12).
What are the key properties of 1-(3-aminopropyl)-1,3-diazinane-2,4-dione?
1-(3-aminopropyl)-1,3-diazinane-2,4-dione has a molecular weight of 171.20 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 69256685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).