4-amino-5-hydroxy-1,3-diazinan-2-one

C4H9N3O2 — CID 56994877

IUPAC4-amino-5-hydroxy-1,3-diazinan-2-one
SMILESNC1NC(=O)NCC1O
InChIInChI=1S/C4H9N3O2/c5-3-2(8)1-6-4(9)7-3/h2-3,8H,1,5H2,(H2,6,7,9)
InChIKeyLXEIIDMMWFCEHU-UHFFFAOYSA-N
MW131.13 g/mol
LogP-2.06
Rot. Bonds

About 4-amino-5-hydroxy-1,3-diazinan-2-one

4-amino-5-hydroxy-1,3-diazinan-2-one (PubChem CID 56994877) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is 4-amino-5-hydroxy-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-amino-5-hydroxy-1,3-diazinan-2-one
PubChem CID56994877
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name4-amino-5-hydroxy-1,3-diazinan-2-one
SMILESNC1NC(=O)NCC1O
InChIInChI=1S/C4H9N3O2/c5-3-2(8)1-6-4(9)7-3/h2-3,8H,1,5H2,(H2,6,7,9)
InChIKeyLXEIIDMMWFCEHU-UHFFFAOYSA-N
XLogP-2.06
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-1,3-diazinan-2-one?
The IUPAC name of 4-amino-5-hydroxy-1,3-diazinan-2-one (CID 56994877) is 4-amino-5-hydroxy-1,3-diazinan-2-one.
What is the SMILES notation for 4-amino-5-hydroxy-1,3-diazinan-2-one?
The canonical SMILES for 4-amino-5-hydroxy-1,3-diazinan-2-one is NC1NC(=O)NCC1O.
What is the InChIKey of 4-amino-5-hydroxy-1,3-diazinan-2-one?
The InChIKey is LXEIIDMMWFCEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c5-3-2(8)1-6-4(9)7-3/h2-3,8H,1,5H2,(H2,6,7,9).
What are the key properties of 4-amino-5-hydroxy-1,3-diazinan-2-one?
4-amino-5-hydroxy-1,3-diazinan-2-one has a molecular weight of 131.13 g/mol, XLogP of -2.06, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-1,3-diazinan-2-one is sourced from PubChem (CID 56994877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).