4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one

C6H9N3O — CID 83845402

IUPAC4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2[nH][nH]c(=O)c21
InChIInChI=1S/C6H9N3O/c1-3-5-4(2-7-3)8-9-6(5)10/h3,7H,2H2,1H3,(H2,8,9,10)
InChIKeyOEAHMJZUYHJQBW-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.13
Rot. Bonds

About 4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one

4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one (PubChem CID 83845402) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one
PubChem CID83845402
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2[nH][nH]c(=O)c21
InChIInChI=1S/C6H9N3O/c1-3-5-4(2-7-3)8-9-6(5)10/h3,7H,2H2,1H3,(H2,8,9,10)
InChIKeyOEAHMJZUYHJQBW-UHFFFAOYSA-N
XLogP-0.13
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one (CID 83845402) is 4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one is CC1NCc2[nH][nH]c(=O)c21.
What is the InChIKey of 4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is OEAHMJZUYHJQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-3-5-4(2-7-3)8-9-6(5)10/h3,7H,2H2,1H3,(H2,8,9,10).
What are the key properties of 4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 139.16 g/mol, XLogP of -0.13, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83845402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).