8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C14H22N6O — CID 80820046

IUPAC8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1nc(N2CCCC2)nc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H22N6O/c15-12-16-13(19-5-1-2-6-19)18-14(17-12)20-9-3-4-10(20)8-11(21)7-9/h9-11,21H,1-8H2,(H2,15,16,17,18)
InChIKeyAPEXIVQNMAJNKR-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.55
Rot. Bonds2

About 8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80820046) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80820046
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1nc(N2CCCC2)nc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H22N6O/c15-12-16-13(19-5-1-2-6-19)18-14(17-12)20-9-3-4-10(20)8-11(21)7-9/h9-11,21H,1-8H2,(H2,15,16,17,18)
InChIKeyAPEXIVQNMAJNKR-UHFFFAOYSA-N
XLogP0.55
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 80820046) is 8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is Nc1nc(N2CCCC2)nc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is APEXIVQNMAJNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c15-12-16-13(19-5-1-2-6-19)18-14(17-12)20-9-3-4-10(20)8-11(21)7-9/h9-11,21H,1-8H2,(H2,15,16,17,18).
What are the key properties of 8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 290.37 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80820046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).