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

C6H9N3 — CID 10878060

IUPAC1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCn1ncc2c1CNC2
InChIInChI=1S/C6H9N3/c1-9-6-4-7-2-5(6)3-8-9/h3,7H,2,4H2,1H3
InChIKeyZPRTZMMXOLTYSI-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.02
Rot. Bonds

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

1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (PubChem CID 10878060) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
PubChem CID10878060
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCn1ncc2c1CNC2
InChIInChI=1S/C6H9N3/c1-9-6-4-7-2-5(6)3-8-9/h3,7H,2,4H2,1H3
InChIKeyZPRTZMMXOLTYSI-UHFFFAOYSA-N
XLogP0.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (CID 10878060) is 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is Cn1ncc2c1CNC2.
What is the InChIKey of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The InChIKey is ZPRTZMMXOLTYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-9-6-4-7-2-5(6)3-8-9/h3,7H,2,4H2,1H3.
What are the key properties of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole has a molecular weight of 123.16 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 10878060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).