2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

C6H9N3O — CID 82418352

IUPAC2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCn1[nH]c2c(c1=O)CNC2
InChIInChI=1S/C6H9N3O/c1-9-6(10)4-2-7-3-5(4)8-9/h7-8H,2-3H2,1H3
InChIKeyNYIBNZKOFDPDTL-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.68
Rot. Bonds

About 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 82418352) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID82418352
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCn1[nH]c2c(c1=O)CNC2
InChIInChI=1S/C6H9N3O/c1-9-6(10)4-2-7-3-5(4)8-9/h7-8H,2-3H2,1H3
InChIKeyNYIBNZKOFDPDTL-UHFFFAOYSA-N
XLogP-0.68
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 82418352) is 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is Cn1[nH]c2c(c1=O)CNC2.
What is the InChIKey of 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is NYIBNZKOFDPDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-6(10)4-2-7-3-5(4)8-9/h7-8H,2-3H2,1H3.
What are the key properties of 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 139.16 g/mol, XLogP of -0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 82418352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).