3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde

C6H8N4O — CID 89465778

IUPAC3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde
SMILESNc1n[nH]c2c1CN(C=O)C2
InChIInChI=1S/C6H8N4O/c7-6-4-1-10(3-11)2-5(4)8-9-6/h3H,1-2H2,(H3,7,8,9)
InChIKeyKNNDVMVZCJEDDR-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.54
Rot. Bonds1

About 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde

3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde (PubChem CID 89465778) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde
PubChem CID89465778
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde
SMILESNc1n[nH]c2c1CN(C=O)C2
InChIInChI=1S/C6H8N4O/c7-6-4-1-10(3-11)2-5(4)8-9-6/h3H,1-2H2,(H3,7,8,9)
InChIKeyKNNDVMVZCJEDDR-UHFFFAOYSA-N
XLogP-0.54
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde?
The IUPAC name of 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde (CID 89465778) is 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde.
What is the SMILES notation for 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde?
The canonical SMILES for 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde is Nc1n[nH]c2c1CN(C=O)C2.
What is the InChIKey of 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde?
The InChIKey is KNNDVMVZCJEDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c7-6-4-1-10(3-11)2-5(4)8-9-6/h3H,1-2H2,(H3,7,8,9).
What are the key properties of 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde?
3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde has a molecular weight of 152.16 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde is sourced from PubChem (CID 89465778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).