2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine

C8H14N4 — CID 82414032

IUPAC2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine
SMILESCN1Cc2[nH]nc(CCN)c2C1
InChIInChI=1S/C8H14N4/c1-12-4-6-7(2-3-9)10-11-8(6)5-12/h2-5,9H2,1H3,(H,10,11)
InChIKeyDMKGWAVUTZVHBD-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.14
Rot. Bonds2

About 2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine

2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine (PubChem CID 82414032) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine
PubChem CID82414032
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine
SMILESCN1Cc2[nH]nc(CCN)c2C1
InChIInChI=1S/C8H14N4/c1-12-4-6-7(2-3-9)10-11-8(6)5-12/h2-5,9H2,1H3,(H,10,11)
InChIKeyDMKGWAVUTZVHBD-UHFFFAOYSA-N
XLogP-0.14
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine 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 2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine?
The IUPAC name of 2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine (CID 82414032) is 2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine is CN1Cc2[nH]nc(CCN)c2C1.
What is the InChIKey of 2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine?
The InChIKey is DMKGWAVUTZVHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-4-6-7(2-3-9)10-11-8(6)5-12/h2-5,9H2,1H3,(H,10,11).
What are the key properties of 2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine?
2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine has a molecular weight of 166.23 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)ethanamine is sourced from PubChem (CID 82414032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).