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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Related Compounds

1-aminoazepane-3,6-diol
CID 144890831
azetidin-3-ol;hydrobromide
CID 142777193
1,3-diazabicyclo[3.1.1]heptane
CID 166010668
(3S,5S)-1-amino-5-methylpiperidin-3-ol
CID 134534794
3-(6-hydroxy-1,4-diazepan-1-yl)-2-methylpropanamide
CID 126980030
1-but-3-enyl-1,4-diazepan-6-ol
CID 130542380
azetidin-3-ol;butanedioic acid
CID 175438233
1,5-diazocan-3-ol
CID 71359715
azetidin-3-ol;ethane;3-methylazetidin-3-ol
CID 145216921
1-[2-(azetidin-3-yl)ethyl]azetidin-3-ol
CID 126580737
pyrrolidin-3-ol;yttrium
CID 171793712
pyrrolidin-3-ol;uranium
CID 143428396

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).