N'-amino-5,6-dimethylpyridine-2-carboximidamide

C8H12N4 — CID 69378028

IUPACN'-amino-5,6-dimethylpyridine-2-carboximidamide
SMILESCc1ccc(C(N)=NN)nc1C
InChIInChI=1S/C8H12N4/c1-5-3-4-7(8(9)12-10)11-6(5)2/h3-4H,10H2,1-2H3,(H2,9,12)
InChIKeyFQLRFWJJRZYEKY-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.28
Rot. Bonds1

About N'-amino-5,6-dimethylpyridine-2-carboximidamide

N'-amino-5,6-dimethylpyridine-2-carboximidamide (PubChem CID 69378028) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N'-amino-5,6-dimethylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-amino-5,6-dimethylpyridine-2-carboximidamide
PubChem CID69378028
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN'-amino-5,6-dimethylpyridine-2-carboximidamide
SMILESCc1ccc(C(N)=NN)nc1C
InChIInChI=1S/C8H12N4/c1-5-3-4-7(8(9)12-10)11-6(5)2/h3-4H,10H2,1-2H3,(H2,9,12)
InChIKeyFQLRFWJJRZYEKY-UHFFFAOYSA-N
XLogP0.28
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.28
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-5,6-dimethylpyridine-2-carboximidamide?
The IUPAC name of N'-amino-5,6-dimethylpyridine-2-carboximidamide (CID 69378028) is N'-amino-5,6-dimethylpyridine-2-carboximidamide.
What is the SMILES notation for N'-amino-5,6-dimethylpyridine-2-carboximidamide?
The canonical SMILES for N'-amino-5,6-dimethylpyridine-2-carboximidamide is Cc1ccc(C(N)=NN)nc1C.
What is the InChIKey of N'-amino-5,6-dimethylpyridine-2-carboximidamide?
The InChIKey is FQLRFWJJRZYEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5-3-4-7(8(9)12-10)11-6(5)2/h3-4H,10H2,1-2H3,(H2,9,12).
What are the key properties of N'-amino-5,6-dimethylpyridine-2-carboximidamide?
N'-amino-5,6-dimethylpyridine-2-carboximidamide has a molecular weight of 164.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-5,6-dimethylpyridine-2-carboximidamide is sourced from PubChem (CID 69378028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).