3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole

C7H11N3 — CID 146158209

IUPAC3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
SMILESCc1[nH]nc2c1CNC2C
InChIInChI=1S/C7H11N3/c1-4-6-3-8-5(2)7(6)10-9-4/h5,8H,3H2,1-2H3,(H,9,10)
InChIKeySFJYIMWSNRYJDN-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.88
Rot. Bonds

About 3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole

3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole (PubChem CID 146158209) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
PubChem CID146158209
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
SMILESCc1[nH]nc2c1CNC2C
InChIInChI=1S/C7H11N3/c1-4-6-3-8-5(2)7(6)10-9-4/h5,8H,3H2,1-2H3,(H,9,10)
InChIKeySFJYIMWSNRYJDN-UHFFFAOYSA-N
XLogP0.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole (CID 146158209) is 3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole is Cc1[nH]nc2c1CNC2C.
What is the InChIKey of 3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole?
The InChIKey is SFJYIMWSNRYJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-4-6-3-8-5(2)7(6)10-9-4/h5,8H,3H2,1-2H3,(H,9,10).
What are the key properties of 3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole?
3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole has a molecular weight of 137.19 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 146158209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).