methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate

C8H8N4O2 — CID 134540913

IUPACmethyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc2cc[nH]c2nc1N
InChIInChI=1S/C8H8N4O2/c1-14-8(13)5-6(9)12-7-4(11-5)2-3-10-7/h2-3H,1H3,(H3,9,10,12)
InChIKeyCCRRFYOEFVIUEW-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.33
Rot. Bonds1

About methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate

methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate (PubChem CID 134540913) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate
PubChem CID134540913
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Namemethyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc2cc[nH]c2nc1N
InChIInChI=1S/C8H8N4O2/c1-14-8(13)5-6(9)12-7-4(11-5)2-3-10-7/h2-3H,1H3,(H3,9,10,12)
InChIKeyCCRRFYOEFVIUEW-UHFFFAOYSA-N
XLogP0.33
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate (CID 134540913) is methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate is COC(=O)c1nc2cc[nH]c2nc1N.
What is the InChIKey of methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate?
The InChIKey is CCRRFYOEFVIUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-14-8(13)5-6(9)12-7-4(11-5)2-3-10-7/h2-3H,1H3,(H3,9,10,12).
What are the key properties of methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate?
methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate has a molecular weight of 192.18 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate is sourced from PubChem (CID 134540913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).