7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C14H18N6 — CID 56877858

IUPAC7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESNc1nc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc2nncn12
InChIInChI=1S/C14H18N6/c15-14-17-12(4-13-18-16-7-20(13)14)19-5-10-8-1-2-9(3-8)11(10)6-19/h4,7-11H,1-3,5-6H2,(H2,15,17)/t8-,9+,10-,11+
InChIKeyLEVOBSAUNQOCRP-DTIDVZRVSA-N
MW270.34 g/mol
LogP1.19
Rot. Bonds1

About 7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 56877858) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID56877858
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESNc1nc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc2nncn12
InChIInChI=1S/C14H18N6/c15-14-17-12(4-13-18-16-7-20(13)14)19-5-10-8-1-2-9(3-8)11(10)6-19/h4,7-11H,1-3,5-6H2,(H2,15,17)/t8-,9+,10-,11+
InChIKeyLEVOBSAUNQOCRP-DTIDVZRVSA-N
XLogP1.19
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 56877858) is 7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Nc1nc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc2nncn12.
What is the InChIKey of 7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is LEVOBSAUNQOCRP-DTIDVZRVSA-N. The full InChI is InChI=1S/C14H18N6/c15-14-17-12(4-13-18-16-7-20(13)14)19-5-10-8-1-2-9(3-8)11(10)6-19/h4,7-11H,1-3,5-6H2,(H2,15,17)/t8-,9+,10-,11+.
What are the key properties of 7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 270.34 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 56877858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).