3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile

C8H10N4 — CID 134224699

IUPAC3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile
SMILESCCc1n[nH]c2c1CN(C#N)C2
InChIInChI=1S/C8H10N4/c1-2-7-6-3-12(5-9)4-8(6)11-10-7/h2-4H2,1H3,(H,10,11)
InChIKeyVNTSDNWGDSNUEA-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.77
Rot. Bonds1

About 3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile

3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile (PubChem CID 134224699) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile
PubChem CID134224699
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile
SMILESCCc1n[nH]c2c1CN(C#N)C2
InChIInChI=1S/C8H10N4/c1-2-7-6-3-12(5-9)4-8(6)11-10-7/h2-4H2,1H3,(H,10,11)
InChIKeyVNTSDNWGDSNUEA-UHFFFAOYSA-N
XLogP0.77
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile?
The IUPAC name of 3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile (CID 134224699) is 3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile?
The canonical SMILES for 3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile is CCc1n[nH]c2c1CN(C#N)C2.
What is the InChIKey of 3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile?
The InChIKey is VNTSDNWGDSNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-2-7-6-3-12(5-9)4-8(6)11-10-7/h2-4H2,1H3,(H,10,11).
What are the key properties of 3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile?
3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 134224699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).