N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide

C7H7N5O — CID 83874676

IUPACN'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
SMILESN/C(=N/O)c1cccn2cnnc12
InChIInChI=1S/C7H7N5O/c8-6(11-13)5-2-1-3-12-4-9-10-7(5)12/h1-4,13H,(H2,8,11)
InChIKeyYMLWMOVDYWZDOI-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.18
Rot. Bonds1

About N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide

N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide (PubChem CID 83874676) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
PubChem CID83874676
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC NameN'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
SMILESN/C(=N/O)c1cccn2cnnc12
InChIInChI=1S/C7H7N5O/c8-6(11-13)5-2-1-3-12-4-9-10-7(5)12/h1-4,13H,(H2,8,11)
InChIKeyYMLWMOVDYWZDOI-UHFFFAOYSA-N
XLogP-0.18
TPSA88.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.18
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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Related Compounds

N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide
CID 136990354
3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
CID 58518078
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118767768
N',2-dihydroxybenzenecarboximidamide
CID 4227476
N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide
CID 107017979
8-chloro-N'-hydroxyimidazo[1,2-a]pyridine-2-carboximidamide
CID 83885242
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one
CID 118785701
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341
N'-hydroxy-2-iodobenzenecarboximidamide
CID 6269117
N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
CID 107017955
N'-hydroxy-2-pyrazol-1-ylpyridine-3-carboximidamide
CID 24693678

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
The IUPAC name of N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide (CID 83874676) is N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide.
What is the SMILES notation for N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
The canonical SMILES for N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide is N/C(=N/O)c1cccn2cnnc12.
What is the InChIKey of N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
The InChIKey is YMLWMOVDYWZDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c8-6(11-13)5-2-1-3-12-4-9-10-7(5)12/h1-4,13H,(H2,8,11).
What are the key properties of N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide has a molecular weight of 177.17 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide is sourced from PubChem (CID 83874676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).