3-(methylamino)pyrazine-2-carboximidamide

C6H9N5 — CID 23422086

IUPAC3-(methylamino)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1NC
InChIInChI=1S/C6H9N5/c1-9-6-4(5(7)8)10-2-3-11-6/h2-3H,1H3,(H3,7,8)(H,9,11)
InChIKeyDNRRCMOUVPFSTE-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.20
Rot. Bonds2

About 3-(methylamino)pyrazine-2-carboximidamide

3-(methylamino)pyrazine-2-carboximidamide (PubChem CID 23422086) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-(methylamino)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(methylamino)pyrazine-2-carboximidamide
PubChem CID23422086
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name3-(methylamino)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1NC
InChIInChI=1S/C6H9N5/c1-9-6-4(5(7)8)10-2-3-11-6/h2-3H,1H3,(H3,7,8)(H,9,11)
InChIKeyDNRRCMOUVPFSTE-UHFFFAOYSA-N
XLogP-0.20
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)pyrazine-2-carboximidamide?
The IUPAC name of 3-(methylamino)pyrazine-2-carboximidamide (CID 23422086) is 3-(methylamino)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(methylamino)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(methylamino)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1NC.
What is the InChIKey of 3-(methylamino)pyrazine-2-carboximidamide?
The InChIKey is DNRRCMOUVPFSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-9-6-4(5(7)8)10-2-3-11-6/h2-3H,1H3,(H3,7,8)(H,9,11).
What are the key properties of 3-(methylamino)pyrazine-2-carboximidamide?
3-(methylamino)pyrazine-2-carboximidamide has a molecular weight of 151.17 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)pyrazine-2-carboximidamide is sourced from PubChem (CID 23422086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).