N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide

C19H34N6O — CID 111153611

IUPACN-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCn1nc2n(c1=O)CCCC2)N1CC(C)CC(C)C1
InChIInChI=1S/C19H34N6O/c1-4-20-18(23-13-15(2)12-16(3)14-23)21-9-7-11-25-19(26)24-10-6-5-8-17(24)22-25/h15-16H,4-14H2,1-3H3,(H,20,21)
InChIKeyBQQXEJCHQXOIJX-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.71
Rot. Bonds5

About N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide

N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide (PubChem CID 111153611) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide
PubChem CID111153611
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC NameN-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCn1nc2n(c1=O)CCCC2)N1CC(C)CC(C)C1
InChIInChI=1S/C19H34N6O/c1-4-20-18(23-13-15(2)12-16(3)14-23)21-9-7-11-25-19(26)24-10-6-5-8-17(24)22-25/h15-16H,4-14H2,1-3H3,(H,20,21)
InChIKeyBQQXEJCHQXOIJX-UHFFFAOYSA-N
XLogP1.71
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.71
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'}

Analyze N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-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

N-ethyl-3-(2-methylpropyl)-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111734444
N-ethyl-3-(methoxymethyl)-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111736450
4-ethoxy-N-ethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111959920
1-ethyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-propan-2-ylguanidine
CID 111125003
N-ethyl-2-(2-methylphenyl)-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]morpholine-4-carboximidamide
CID 109481298
1-cyclohexyl-3-ethyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine
CID 110959159
4-(2,5-difluorophenyl)-N-ethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboximidamide
CID 109451373
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine
CID 111189974
N-ethyl-3,5-dimethyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111154269
N,N-diethyl-3-[[N-ethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]carbamimidoyl]amino]propanamide
CID 111942035
1-(2-ethoxyethyl)-3-ethyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine;hydroiodide
CID 111896020
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine;hydroiodide
CID 111146906

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide (CID 111153611) is N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide is CCN/C(=N\CCCn1nc2n(c1=O)CCCC2)N1CC(C)CC(C)C1.
What is the InChIKey of N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide?
The InChIKey is BQQXEJCHQXOIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-4-20-18(23-13-15(2)12-16(3)14-23)21-9-7-11-25-19(26)24-10-6-5-8-17(24)22-25/h15-16H,4-14H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide?
N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 362.52 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111153611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).