N-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide

C8H11N5 — CID 144718314

IUPACN-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide
SMILES[H]/N=N/N(/C(C)=N/[H])c1cccnc1C
InChIInChI=1S/C8H11N5/c1-6-8(4-3-5-11-6)13(12-10)7(2)9/h3-5,9-10H,1-2H3/b9-7+,12-10+
InChIKeyWUZZKTZHQVRZPC-LKJUMTHSSA-N
MW177.21 g/mol
LogP2.14
Rot. Bonds2

About N-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide

N-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide (PubChem CID 144718314) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is N-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide.

Molecular Properties

Compound NameN-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide
PubChem CID144718314
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC NameN-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide
SMILES[H]/N=N/N(/C(C)=N/[H])c1cccnc1C
InChIInChI=1S/C8H11N5/c1-6-8(4-3-5-11-6)13(12-10)7(2)9/h3-5,9-10H,1-2H3/b9-7+,12-10+
InChIKeyWUZZKTZHQVRZPC-LKJUMTHSSA-N
XLogP2.14
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide?
The IUPAC name of N-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide (CID 144718314) is N-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide.
What is the SMILES notation for N-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide?
The canonical SMILES for N-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide is [H]/N=N/N(/C(C)=N/[H])c1cccnc1C.
What is the InChIKey of N-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide?
The InChIKey is WUZZKTZHQVRZPC-LKJUMTHSSA-N. The full InChI is InChI=1S/C8H11N5/c1-6-8(4-3-5-11-6)13(12-10)7(2)9/h3-5,9-10H,1-2H3/b9-7+,12-10+.
What are the key properties of N-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide?
N-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide has a molecular weight of 177.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazenyl-N-(2-methyl-3-pyridinyl)ethanimidamide is sourced from PubChem (CID 144718314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).