3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol

C10H15N5O — CID 166282059

IUPAC3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol
SMILESNc1ncnc(N2CC3CC(O)C(C3)C2)n1
InChIInChI=1S/C10H15N5O/c11-9-12-5-13-10(14-9)15-3-6-1-7(4-15)8(16)2-6/h5-8,16H,1-4H2,(H2,11,12,13,14)
InChIKeyWXGRZUOFRNYTLW-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.34
Rot. Bonds1

About 3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol

3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol (PubChem CID 166282059) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol.

Molecular Properties

Compound Name3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol
PubChem CID166282059
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol
SMILESNc1ncnc(N2CC3CC(O)C(C3)C2)n1
InChIInChI=1S/C10H15N5O/c11-9-12-5-13-10(14-9)15-3-6-1-7(4-15)8(16)2-6/h5-8,16H,1-4H2,(H2,11,12,13,14)
InChIKeyWXGRZUOFRNYTLW-UHFFFAOYSA-N
XLogP-0.34
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol?
The IUPAC name of 3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol (CID 166282059) is 3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol.
What is the SMILES notation for 3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol?
The canonical SMILES for 3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol is Nc1ncnc(N2CC3CC(O)C(C3)C2)n1.
What is the InChIKey of 3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol?
The InChIKey is WXGRZUOFRNYTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c11-9-12-5-13-10(14-9)15-3-6-1-7(4-15)8(16)2-6/h5-8,16H,1-4H2,(H2,11,12,13,14).
What are the key properties of 3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol?
3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol has a molecular weight of 221.26 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,3,5-triazin-2-yl)-3-azabicyclo[3.2.1]octan-6-ol is sourced from PubChem (CID 166282059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).