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

C7H11N3O — CID 83845581

IUPAC5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1c2[nH][nH]c(=O)c2CN1C
InChIInChI=1S/C7H11N3O/c1-4-6-5(3-10(4)2)7(11)9-8-6/h4H,3H2,1-2H3,(H2,8,9,11)
InChIKeyCVLROMBPOBHBIT-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.21
Rot. Bonds

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

5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 83845581) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID83845581
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1c2[nH][nH]c(=O)c2CN1C
InChIInChI=1S/C7H11N3O/c1-4-6-5(3-10(4)2)7(11)9-8-6/h4H,3H2,1-2H3,(H2,8,9,11)
InChIKeyCVLROMBPOBHBIT-UHFFFAOYSA-N
XLogP0.21
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 83845581) is 5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is CC1c2[nH][nH]c(=O)c2CN1C.
What is the InChIKey of 5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is CVLROMBPOBHBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-6-5(3-10(4)2)7(11)9-8-6/h4H,3H2,1-2H3,(H2,8,9,11).
What are the key properties of 5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 153.18 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83845581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).