[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide

C7H7N5 — CID 83873033

IUPAC[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nncn2c1
InChIInChI=1S/C7H7N5/c8-7(9)5-1-2-6-11-10-4-12(6)3-5/h1-4H,(H3,8,9)
InChIKeyMNNCMJBYAVGTMF-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.01
Rot. Bonds1

About [1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide

[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide (PubChem CID 83873033) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
PubChem CID83873033
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nncn2c1
InChIInChI=1S/C7H7N5/c8-7(9)5-1-2-6-11-10-4-12(6)3-5/h1-4H,(H3,8,9)
InChIKeyMNNCMJBYAVGTMF-UHFFFAOYSA-N
XLogP0.01
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-nitroimidazo[1,5-a]pyridine-6-carboximidamide
CID 83882201
6-iodo-[1,2,4]triazolo[4,3-a]pyridine
CID 69371559
1-hydroxy-6-oxopyridine-3-carboximidamide
CID 174553744
acetic acid;4-[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide
CID 69254410
[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83873031
(4-amino-3,3-dimethylpiperidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 120816284
1-ethylpyrrole-3-carboximidamide
CID 119082207
1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc
CID 87650974
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 100749011

Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide?
The IUPAC name of [1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide (CID 83873033) is [1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide?
The canonical SMILES for [1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide is [H]/N=C(\N)c1ccc2nncn2c1.
What is the InChIKey of [1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide?
The InChIKey is MNNCMJBYAVGTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-7(9)5-1-2-6-11-10-4-12(6)3-5/h1-4H,(H3,8,9).
What are the key properties of [1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide?
[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide has a molecular weight of 161.17 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide is sourced from PubChem (CID 83873033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).