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

C9H11N5 — CID 83877169

IUPAC3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1cccn2c(CC)nnc12
InChIInChI=1S/C9H11N5/c1-2-7-12-13-9-6(8(10)11)4-3-5-14(7)9/h3-5H,2H2,1H3,(H3,10,11)
InChIKeyUKHMUUBDSFPVRD-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.58
Rot. Bonds2

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

3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide (PubChem CID 83877169) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide.

Molecular Properties

Compound Name3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
PubChem CID83877169
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1cccn2c(CC)nnc12
InChIInChI=1S/C9H11N5/c1-2-7-12-13-9-6(8(10)11)4-3-5-14(7)9/h3-5H,2H2,1H3,(H3,10,11)
InChIKeyUKHMUUBDSFPVRD-UHFFFAOYSA-N
XLogP0.58
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.58
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'}

Analyze 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanimidamide
CID 83881576
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83881575
[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83873031
1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide
CID 121209415
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid
CID 84614425
3-cyclopropyl-1-methylimidazo[1,5-a]pyridine-8-carboximidamide
CID 83886369
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147796
2-oxo-1-pentylpyridine-3-carboximidamide
CID 82526707
(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257434
8-chloroimidazo[1,2-a]pyridine-3-carboximidamide
CID 83879193
2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301
2-(dipropylamino)benzenecarboximidamide
CID 28601050

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
The IUPAC name of 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide (CID 83877169) is 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide.
What is the SMILES notation for 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
The canonical SMILES for 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide is [H]/N=C(\N)c1cccn2c(CC)nnc12.
What is the InChIKey of 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
The InChIKey is UKHMUUBDSFPVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-7-12-13-9-6(8(10)11)4-3-5-14(7)9/h3-5H,2H2,1H3,(H3,10,11).
What are the key properties of 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide has a molecular weight of 189.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide is sourced from PubChem (CID 83877169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).