N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide

C8H9N5O — CID 83877712

IUPACN'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide
SMILESN/C(Cc1ccc2ncnn2c1)=N\O
InChIInChI=1S/C8H9N5O/c9-7(12-14)3-6-1-2-8-10-5-11-13(8)4-6/h1-2,4-5,14H,3H2,(H2,9,12)
InChIKeyLJTZWVCQXUSXBK-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.02
Rot. Bonds2

About N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide

N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide (PubChem CID 83877712) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide
PubChem CID83877712
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC NameN'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide
SMILESN/C(Cc1ccc2ncnn2c1)=N\O
InChIInChI=1S/C8H9N5O/c9-7(12-14)3-6-1-2-8-10-5-11-13(8)4-6/h1-2,4-5,14H,3H2,(H2,9,12)
InChIKeyLJTZWVCQXUSXBK-UHFFFAOYSA-N
XLogP0.02
TPSA88.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide (CID 83877712) is N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide is N/C(Cc1ccc2ncnn2c1)=N\O.
What is the InChIKey of N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide?
The InChIKey is LJTZWVCQXUSXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-7(12-14)3-6-1-2-8-10-5-11-13(8)4-6/h1-2,4-5,14H,3H2,(H2,9,12).
What are the key properties of N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide?
N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide has a molecular weight of 191.19 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide is sourced from PubChem (CID 83877712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).