3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid

C8H12N4O2 — CID 66738815

IUPAC3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
SMILESCC1(C)c2[nH]nc(N)c2CN1C(=O)O
InChIInChI=1S/C8H12N4O2/c1-8(2)5-4(6(9)11-10-5)3-12(8)7(13)14/h3H2,1-2H3,(H,13,14)(H3,9,10,11)
InChIKeySTWXELVZGPZFLZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.72
Rot. Bonds

About 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid

3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid (PubChem CID 66738815) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
PubChem CID66738815
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
SMILESCC1(C)c2[nH]nc(N)c2CN1C(=O)O
InChIInChI=1S/C8H12N4O2/c1-8(2)5-4(6(9)11-10-5)3-12(8)7(13)14/h3H2,1-2H3,(H,13,14)(H3,9,10,11)
InChIKeySTWXELVZGPZFLZ-UHFFFAOYSA-N
XLogP0.72
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The IUPAC name of 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid (CID 66738815) is 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid is CC1(C)c2[nH]nc(N)c2CN1C(=O)O.
What is the InChIKey of 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The InChIKey is STWXELVZGPZFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-8(2)5-4(6(9)11-10-5)3-12(8)7(13)14/h3H2,1-2H3,(H,13,14)(H3,9,10,11).
What are the key properties of 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.72, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 66738815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).