1-amino-1,3-diazinan-5-ol

C4H11N3O — CID 146411797

IUPAC1-amino-1,3-diazinan-5-ol
SMILESNN1CNCC(O)C1
InChIInChI=1S/C4H11N3O/c5-7-2-4(8)1-6-3-7/h4,6,8H,1-3,5H2
InChIKeyIMGKQGBXWSMJMB-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.92
Rot. Bonds

About 1-amino-1,3-diazinan-5-ol

1-amino-1,3-diazinan-5-ol (PubChem CID 146411797) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-amino-1,3-diazinan-5-ol.

Molecular Properties

Compound Name1-amino-1,3-diazinan-5-ol
PubChem CID146411797
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name1-amino-1,3-diazinan-5-ol
SMILESNN1CNCC(O)C1
InChIInChI=1S/C4H11N3O/c5-7-2-4(8)1-6-3-7/h4,6,8H,1-3,5H2
InChIKeyIMGKQGBXWSMJMB-UHFFFAOYSA-N
XLogP-1.92
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1,3-diazinan-5-ol?
The IUPAC name of 1-amino-1,3-diazinan-5-ol (CID 146411797) is 1-amino-1,3-diazinan-5-ol.
What is the SMILES notation for 1-amino-1,3-diazinan-5-ol?
The canonical SMILES for 1-amino-1,3-diazinan-5-ol is NN1CNCC(O)C1.
What is the InChIKey of 1-amino-1,3-diazinan-5-ol?
The InChIKey is IMGKQGBXWSMJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c5-7-2-4(8)1-6-3-7/h4,6,8H,1-3,5H2.
What are the key properties of 1-amino-1,3-diazinan-5-ol?
1-amino-1,3-diazinan-5-ol has a molecular weight of 117.15 g/mol, XLogP of -1.92, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,3-diazinan-5-ol is sourced from PubChem (CID 146411797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).