N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide

C14H21IN6S — CID 111803023

IUPACN'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCc1nnc2ccccn12)N1CCSCC1
InChIInChI=1S/C14H20N6S.HI/c15-14(19-8-10-21-11-9-19)16-6-3-5-13-18-17-12-4-1-2-7-20(12)13;/h1-2,4,7H,3,5-6,8-11H2,(H2,15,16);1H
InChIKeyZNIZMZVGUAUKPQ-UHFFFAOYSA-N
MW432.34 g/mol
LogP1.64
Rot. Bonds4

About N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111803023) has the molecular formula C14H21IN6S and a molecular weight of 432.34 g/mol. Its IUPAC name is N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111803023
Molecular FormulaC14H21IN6S
Molecular Weight432.34 g/mol
Exact Mass432.06
IUPAC NameN'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCc1nnc2ccccn12)N1CCSCC1
InChIInChI=1S/C14H20N6S.HI/c15-14(19-8-10-21-11-9-19)16-6-3-5-13-18-17-12-4-1-2-7-20(12)13;/h1-2,4,7H,3,5-6,8-11H2,(H2,15,16);1H
InChIKeyZNIZMZVGUAUKPQ-UHFFFAOYSA-N
XLogP1.64
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide 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

N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide
CID 111031690
tert-butyl 4-[N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111033920
4-(1,3-thiazol-2-yl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperazine-1-carboximidamide
CID 111033939
1-cyclopropyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111465978
N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 111031625
1-propan-2-yl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111802968
1-tert-butyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111803058
1-butyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine;hydroiodide
CID 111803061
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
1-prop-2-enyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 136683172
N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111030169
4-benzylidene-N-ethyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboximidamide
CID 109415244

Frequently Asked Questions

What is the IUPAC name of N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111803023) is N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCCc1nnc2ccccn12)N1CCSCC1.
What is the InChIKey of N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is ZNIZMZVGUAUKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S.HI/c15-14(19-8-10-21-11-9-19)16-6-3-5-13-18-17-12-4-1-2-7-20(12)13;/h1-2,4,7H,3,5-6,8-11H2,(H2,15,16);1H.
What are the key properties of N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 432.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111803023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).