methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate

C8H12N4O2 — CID 83847672

IUPACmethyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
SMILESCOC(=O)N1Cc2c(N)nn(C)c2C1
InChIInChI=1S/C8H12N4O2/c1-11-6-4-12(8(13)14-2)3-5(6)7(9)10-11/h3-4H2,1-2H3,(H2,9,10)
InChIKeyUAXOVTWIROYSIY-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.08
Rot. Bonds

About methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate

methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate (PubChem CID 83847672) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
PubChem CID83847672
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Namemethyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
SMILESCOC(=O)N1Cc2c(N)nn(C)c2C1
InChIInChI=1S/C8H12N4O2/c1-11-6-4-12(8(13)14-2)3-5(6)7(9)10-11/h3-4H2,1-2H3,(H2,9,10)
InChIKeyUAXOVTWIROYSIY-UHFFFAOYSA-N
XLogP0.08
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?
The IUPAC name of methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate (CID 83847672) is methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate is COC(=O)N1Cc2c(N)nn(C)c2C1.
What is the InChIKey of methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?
The InChIKey is UAXOVTWIROYSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-11-6-4-12(8(13)14-2)3-5(6)7(9)10-11/h3-4H2,1-2H3,(H2,9,10).
What are the key properties of methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?
methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate is sourced from PubChem (CID 83847672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).