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

C11H12N4 — CID 105452879

IUPAC2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline
SMILESNc1ccccc1-n1ncc2c1CNC2
InChIInChI=1S/C11H12N4/c12-9-3-1-2-4-10(9)15-11-7-13-5-8(11)6-14-15/h1-4,6,13H,5,7,12H2
InChIKeyDYCQTQWYSCXHHH-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.06
Rot. Bonds1

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

2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline (PubChem CID 105452879) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline
PubChem CID105452879
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline
SMILESNc1ccccc1-n1ncc2c1CNC2
InChIInChI=1S/C11H12N4/c12-9-3-1-2-4-10(9)15-11-7-13-5-8(11)6-14-15/h1-4,6,13H,5,7,12H2
InChIKeyDYCQTQWYSCXHHH-UHFFFAOYSA-N
XLogP1.06
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline?
The IUPAC name of 2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline (CID 105452879) is 2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline.
What is the SMILES notation for 2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline?
The canonical SMILES for 2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline is Nc1ccccc1-n1ncc2c1CNC2.
What is the InChIKey of 2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline?
The InChIKey is DYCQTQWYSCXHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-9-3-1-2-4-10(9)15-11-7-13-5-8(11)6-14-15/h1-4,6,13H,5,7,12H2.
What are the key properties of 2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline?
2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline has a molecular weight of 200.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline is sourced from PubChem (CID 105452879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).