6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

C7H11N3 — CID 134714770

IUPAC6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCCC1NCc2cn[nH]c21
InChIInChI=1S/C7H11N3/c1-2-6-7-5(3-8-6)4-9-10-7/h4,6,8H,2-3H2,1H3,(H,9,10)
InChIKeySIEZRJPDOUQOHS-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.96
Rot. Bonds1

About 6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (PubChem CID 134714770) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
PubChem CID134714770
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCCC1NCc2cn[nH]c21
InChIInChI=1S/C7H11N3/c1-2-6-7-5(3-8-6)4-9-10-7/h4,6,8H,2-3H2,1H3,(H,9,10)
InChIKeySIEZRJPDOUQOHS-UHFFFAOYSA-N
XLogP0.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (CID 134714770) is 6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is CCC1NCc2cn[nH]c21.
What is the InChIKey of 6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The InChIKey is SIEZRJPDOUQOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-6-7-5(3-8-6)4-9-10-7/h4,6,8H,2-3H2,1H3,(H,9,10).
What are the key properties of 6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole has a molecular weight of 137.19 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 134714770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).