1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine

C8H17N7 — CID 104886918

IUPAC1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine
SMILESCCN/C(=N\CCCc1ncn[nH]1)NN
InChIInChI=1S/C8H17N7/c1-2-10-8(14-9)11-5-3-4-7-12-6-13-15-7/h6H,2-5,9H2,1H3,(H2,10,11,14)(H,12,13,15)
InChIKeyLIYPERDQATWTHC-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.83
Rot. Bonds5

About 1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine

1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine (PubChem CID 104886918) has the molecular formula C8H17N7 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine
PubChem CID104886918
Molecular FormulaC8H17N7
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine
SMILESCCN/C(=N\CCCc1ncn[nH]1)NN
InChIInChI=1S/C8H17N7/c1-2-10-8(14-9)11-5-3-4-7-12-6-13-15-7/h6H,2-5,9H2,1H3,(H2,10,11,14)(H,12,13,15)
InChIKeyLIYPERDQATWTHC-UHFFFAOYSA-N
XLogP-0.83
TPSA104.01 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine 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

1-amino-2-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 104882301
1-hydroxy-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine
CID 64524593
1-amino-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 64874829
1-amino-3-butyl-2-[3-(1H-imidazol-2-yl)propyl]guanidine
CID 116516477
5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine
CID 104886521
1-amino-2-(3-methoxypropyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 106283168
1-amino-3-ethyl-2-(2-phenylethyl)guanidine
CID 116512277
N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide
CID 54369226
1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888051
(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64532327
5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole
CID 169210024

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine?
The IUPAC name of 1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine (CID 104886918) is 1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine is CCN/C(=N\CCCc1ncn[nH]1)NN.
What is the InChIKey of 1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine?
The InChIKey is LIYPERDQATWTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N7/c1-2-10-8(14-9)11-5-3-4-7-12-6-13-15-7/h6H,2-5,9H2,1H3,(H2,10,11,14)(H,12,13,15).
What are the key properties of 1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine?
1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine has a molecular weight of 211.27 g/mol, XLogP of -0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine is sourced from PubChem (CID 104886918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).