N'-amino-1-methoxypyridin-1-ium-4-carboximidamide

C7H11N4O+ — CID 143260565

IUPACN'-amino-1-methoxypyridin-1-ium-4-carboximidamide
SMILESCO[n+]1ccc(/C(N)=N/N)cc1
InChIInChI=1S/C7H10N4O/c1-12-11-4-2-6(3-5-11)7(8)10-9/h2-5,9H,8H2,1H3/p+1
InChIKeyDGVSLEQCRFXDDV-UHFFFAOYSA-O
MW167.19 g/mol
LogP-1.39
Rot. Bonds2

About N'-amino-1-methoxypyridin-1-ium-4-carboximidamide

N'-amino-1-methoxypyridin-1-ium-4-carboximidamide (PubChem CID 143260565) has the molecular formula C7H11N4O+ and a molecular weight of 167.19 g/mol. Its IUPAC name is N'-amino-1-methoxypyridin-1-ium-4-carboximidamide.

Molecular Properties

Compound NameN'-amino-1-methoxypyridin-1-ium-4-carboximidamide
PubChem CID143260565
Molecular FormulaC7H11N4O+
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC NameN'-amino-1-methoxypyridin-1-ium-4-carboximidamide
SMILESCO[n+]1ccc(/C(N)=N/N)cc1
InChIInChI=1S/C7H10N4O/c1-12-11-4-2-6(3-5-11)7(8)10-9/h2-5,9H,8H2,1H3/p+1
InChIKeyDGVSLEQCRFXDDV-UHFFFAOYSA-O
XLogP-1.39
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-1-methoxypyridin-1-ium-4-carboximidamide?
The IUPAC name of N'-amino-1-methoxypyridin-1-ium-4-carboximidamide (CID 143260565) is N'-amino-1-methoxypyridin-1-ium-4-carboximidamide.
What is the SMILES notation for N'-amino-1-methoxypyridin-1-ium-4-carboximidamide?
The canonical SMILES for N'-amino-1-methoxypyridin-1-ium-4-carboximidamide is CO[n+]1ccc(/C(N)=N/N)cc1.
What is the InChIKey of N'-amino-1-methoxypyridin-1-ium-4-carboximidamide?
The InChIKey is DGVSLEQCRFXDDV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N4O/c1-12-11-4-2-6(3-5-11)7(8)10-9/h2-5,9H,8H2,1H3/p+1.
What are the key properties of N'-amino-1-methoxypyridin-1-ium-4-carboximidamide?
N'-amino-1-methoxypyridin-1-ium-4-carboximidamide has a molecular weight of 167.19 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-1-methoxypyridin-1-ium-4-carboximidamide is sourced from PubChem (CID 143260565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).