5-amino-3-(methylamino)pyrazine-2-carboxamide

C6H9N5O — CID 127263177

IUPAC5-amino-3-(methylamino)pyrazine-2-carboxamide
SMILESCNc1nc(N)cnc1C(N)=O
InChIInChI=1S/C6H9N5O/c1-9-6-4(5(8)12)10-2-3(7)11-6/h2H,1H3,(H2,8,12)(H3,7,9,11)
InChIKeyAAEAMZQVFLMOBK-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.80
Rot. Bonds2

About 5-amino-3-(methylamino)pyrazine-2-carboxamide

5-amino-3-(methylamino)pyrazine-2-carboxamide (PubChem CID 127263177) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-amino-3-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-3-(methylamino)pyrazine-2-carboxamide
PubChem CID127263177
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name5-amino-3-(methylamino)pyrazine-2-carboxamide
SMILESCNc1nc(N)cnc1C(N)=O
InChIInChI=1S/C6H9N5O/c1-9-6-4(5(8)12)10-2-3(7)11-6/h2H,1H3,(H2,8,12)(H3,7,9,11)
InChIKeyAAEAMZQVFLMOBK-UHFFFAOYSA-N
XLogP-0.80
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-3-(methylamino)pyrazine-2-carboxamide (CID 127263177) is 5-amino-3-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-3-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-3-(methylamino)pyrazine-2-carboxamide is CNc1nc(N)cnc1C(N)=O.
What is the InChIKey of 5-amino-3-(methylamino)pyrazine-2-carboxamide?
The InChIKey is AAEAMZQVFLMOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-9-6-4(5(8)12)10-2-3(7)11-6/h2H,1H3,(H2,8,12)(H3,7,9,11).
What are the key properties of 5-amino-3-(methylamino)pyrazine-2-carboxamide?
5-amino-3-(methylamino)pyrazine-2-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 127263177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).