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

C7H7N5 — CID 83873031

IUPAC[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1cccn2cnnc12
InChIInChI=1S/C7H7N5/c8-6(9)5-2-1-3-12-4-10-11-7(5)12/h1-4H,(H3,8,9)
InChIKeySQXSJISHKYEJHA-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.01
Rot. Bonds1

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

[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide (PubChem CID 83873031) 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-8-carboximidamide.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
PubChem CID83873031
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1cccn2cnnc12
InChIInChI=1S/C7H7N5/c8-6(9)5-2-1-3-12-4-10-11-7(5)12/h1-4H,(H3,8,9)
InChIKeySQXSJISHKYEJHA-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

N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83874676
[1,2,4]triazolo[4,3-a]pyridin-8-amine;dihydrochloride
CID 155978316
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83881575
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83877169
3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
CID 58518078
1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide
CID 121209415
2-amino-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid
CID 83877948
indolizine-1,2-dicarboximidamide
CID 141122439
[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
CID 83873033
8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 55267549
[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 82417710
2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride
CID 82240525

Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
The IUPAC name of [1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide (CID 83873031) is [1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
The canonical SMILES for [1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide is [H]/N=C(\N)c1cccn2cnnc12.
What is the InChIKey of [1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
The InChIKey is SQXSJISHKYEJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-6(9)5-2-1-3-12-4-10-11-7(5)12/h1-4H,(H3,8,9).
What are the key properties of [1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
[1,2,4]triazolo[4,3-a]pyridine-8-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-8-carboximidamide is sourced from PubChem (CID 83873031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).