1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline

C13H21N3 — CID 22161707

IUPAC1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline
SMILESCc1nn(C)c2c1CC1CN(C)CCC1C2
InChIInChI=1S/C13H21N3/c1-9-12-6-11-8-15(2)5-4-10(11)7-13(12)16(3)14-9/h10-11H,4-8H2,1-3H3
InChIKeyFGNURHFJYBYESW-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.40
Rot. Bonds

About 1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline

1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline (PubChem CID 22161707) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline.

Molecular Properties

Compound Name1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline
PubChem CID22161707
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline
SMILESCc1nn(C)c2c1CC1CN(C)CCC1C2
InChIInChI=1S/C13H21N3/c1-9-12-6-11-8-15(2)5-4-10(11)7-13(12)16(3)14-9/h10-11H,4-8H2,1-3H3
InChIKeyFGNURHFJYBYESW-UHFFFAOYSA-N
XLogP1.40
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline 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 1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline?
The IUPAC name of 1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline (CID 22161707) is 1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline.
What is the SMILES notation for 1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline?
The canonical SMILES for 1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline is Cc1nn(C)c2c1CC1CN(C)CCC1C2.
What is the InChIKey of 1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline?
The InChIKey is FGNURHFJYBYESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-12-6-11-8-15(2)5-4-10(11)7-13(12)16(3)14-9/h10-11H,4-8H2,1-3H3.
What are the key properties of 1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline?
1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline has a molecular weight of 219.33 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline is sourced from PubChem (CID 22161707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).