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

C6H9N3 — CID 18343529

IUPAC5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCN1Cc2cn[nH]c2C1
InChIInChI=1S/C6H9N3/c1-9-3-5-2-7-8-6(5)4-9/h2H,3-4H2,1H3,(H,7,8)
InChIKeyYKOOTMZPXIYQED-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.36
Rot. Bonds

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

5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (PubChem CID 18343529) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
PubChem CID18343529
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCN1Cc2cn[nH]c2C1
InChIInChI=1S/C6H9N3/c1-9-3-5-2-7-8-6(5)4-9/h2H,3-4H2,1H3,(H,7,8)
InChIKeyYKOOTMZPXIYQED-UHFFFAOYSA-N
XLogP0.36
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (CID 18343529) is 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is CN1Cc2cn[nH]c2C1.
What is the InChIKey of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The InChIKey is YKOOTMZPXIYQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-9-3-5-2-7-8-6(5)4-9/h2H,3-4H2,1H3,(H,7,8).
What are the key properties of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole has a molecular weight of 123.16 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 18343529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).