N'-amino-6-methoxypyrazine-2-carboximidamide

C6H9N5O — CID 71593414

IUPACN'-amino-6-methoxypyrazine-2-carboximidamide
SMILESCOc1cncc(C(N)=NN)n1
InChIInChI=1S/C6H9N5O/c1-12-5-3-9-2-4(10-5)6(7)11-8/h2-3H,8H2,1H3,(H2,7,11)
InChIKeyHRNPDRLTAXSYJZ-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.94
Rot. Bonds2

About N'-amino-6-methoxypyrazine-2-carboximidamide

N'-amino-6-methoxypyrazine-2-carboximidamide (PubChem CID 71593414) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is N'-amino-6-methoxypyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-amino-6-methoxypyrazine-2-carboximidamide
PubChem CID71593414
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC NameN'-amino-6-methoxypyrazine-2-carboximidamide
SMILESCOc1cncc(C(N)=NN)n1
InChIInChI=1S/C6H9N5O/c1-12-5-3-9-2-4(10-5)6(7)11-8/h2-3H,8H2,1H3,(H2,7,11)
InChIKeyHRNPDRLTAXSYJZ-UHFFFAOYSA-N
XLogP-0.94
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-6-methylpyrazine
CID 520395
2-Methoxy-5-methylpyrazine
CID 76153
(6-Methoxypyrazin-2-yl)methanamine hydrochloride
CID 140830697
(5-Methoxypyrazin-2-yl)methanamine
CID 64287386
(5-Ethoxypyrazin-2-yl)methanamine
CID 64287601
(6-Methoxypyrazin-2-yl)methanamine dihydrochloride
CID 132351048
(5-Methoxypyrazin-2-yl)methanamine dihydrochloride
CID 137964196
5-Methoxypyrazine-2-carboximidamide dihydrochloride
CID 145867185
3-Methoxypyrazine-2-carboximidamide dihydrochloride
CID 145867339
2,3-Dimethyl-5-methoxypyrazine
CID 118655907
(6-Methoxypyrazin-2-YL)methanamine
CID 55285257
3-Methoxypyrazine-2-carboximidamide
CID 62685417

Frequently Asked Questions

What is the IUPAC name of N'-amino-6-methoxypyrazine-2-carboximidamide?
The IUPAC name of N'-amino-6-methoxypyrazine-2-carboximidamide (CID 71593414) is N'-amino-6-methoxypyrazine-2-carboximidamide.
What is the SMILES notation for N'-amino-6-methoxypyrazine-2-carboximidamide?
The canonical SMILES for N'-amino-6-methoxypyrazine-2-carboximidamide is COc1cncc(C(N)=NN)n1.
What is the InChIKey of N'-amino-6-methoxypyrazine-2-carboximidamide?
The InChIKey is HRNPDRLTAXSYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-12-5-3-9-2-4(10-5)6(7)11-8/h2-3H,8H2,1H3,(H2,7,11).
What are the key properties of N'-amino-6-methoxypyrazine-2-carboximidamide?
N'-amino-6-methoxypyrazine-2-carboximidamide has a molecular weight of 167.17 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-6-methoxypyrazine-2-carboximidamide is sourced from PubChem (CID 71593414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).