3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

C9H12N4O2 — CID 153370477

IUPAC3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCNC(=O)C1CCc2cnc(N)c(=O)n21
InChIInChI=1S/C9H12N4O2/c1-11-8(14)6-3-2-5-4-12-7(10)9(15)13(5)6/h4,6H,2-3H2,1H3,(H2,10,12)(H,11,14)
InChIKeyKAPKTTXBYMWHIE-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.94
Rot. Bonds1

About 3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 153370477) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID153370477
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCNC(=O)C1CCc2cnc(N)c(=O)n21
InChIInChI=1S/C9H12N4O2/c1-11-8(14)6-3-2-5-4-12-7(10)9(15)13(5)6/h4,6H,2-3H2,1H3,(H2,10,12)(H,11,14)
InChIKeyKAPKTTXBYMWHIE-UHFFFAOYSA-N
XLogP-0.94
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 153370477) is 3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is CNC(=O)C1CCc2cnc(N)c(=O)n21.
What is the InChIKey of 3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is KAPKTTXBYMWHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-11-8(14)6-3-2-5-4-12-7(10)9(15)13(5)6/h4,6H,2-3H2,1H3,(H2,10,12)(H,11,14).
What are the key properties of 3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 153370477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).