[(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine

C15H22N6 — CID 138054604

IUPAC[(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine
SMILESCc1cc(N2C[C@@H]3CCC[C@]3(CN)C2)n2nc(C)nc2n1
InChIInChI=1S/C15H22N6/c1-10-6-13(21-14(17-10)18-11(2)19-21)20-7-12-4-3-5-15(12,8-16)9-20/h6,12H,3-5,7-9,16H2,1-2H3/t12-,15-/m0/s1
InChIKeyXEZPHKGSSMEKAY-WFASDCNBSA-N
MW286.38 g/mol
LogP1.31
Rot. Bonds2

About [(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine

[(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine (PubChem CID 138054604) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is [(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine.

Molecular Properties

Compound Name[(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine
PubChem CID138054604
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name[(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine
SMILESCc1cc(N2C[C@@H]3CCC[C@]3(CN)C2)n2nc(C)nc2n1
InChIInChI=1S/C15H22N6/c1-10-6-13(21-14(17-10)18-11(2)19-21)20-7-12-4-3-5-15(12,8-16)9-20/h6,12H,3-5,7-9,16H2,1-2H3/t12-,15-/m0/s1
InChIKeyXEZPHKGSSMEKAY-WFASDCNBSA-N
XLogP1.31
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine 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 [(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine?
The IUPAC name of [(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine (CID 138054604) is [(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine.
What is the SMILES notation for [(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine?
The canonical SMILES for [(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine is Cc1cc(N2C[C@@H]3CCC[C@]3(CN)C2)n2nc(C)nc2n1.
What is the InChIKey of [(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine?
The InChIKey is XEZPHKGSSMEKAY-WFASDCNBSA-N. The full InChI is InChI=1S/C15H22N6/c1-10-6-13(21-14(17-10)18-11(2)19-21)20-7-12-4-3-5-15(12,8-16)9-20/h6,12H,3-5,7-9,16H2,1-2H3/t12-,15-/m0/s1.
What are the key properties of [(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine?
[(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-2-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanamine is sourced from PubChem (CID 138054604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).