1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine

C11H14N6 — CID 64529402

IUPAC1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
SMILESN/C(=N\CCc1ncn[nH]1)Nc1ccccc1
InChIInChI=1S/C11H14N6/c12-11(16-9-4-2-1-3-5-9)13-7-6-10-14-8-15-17-10/h1-5,8H,6-7H2,(H3,12,13,16)(H,14,15,17)
InChIKeyOJYZXPZNFCEDAJ-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.77
Rot. Bonds4

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

1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine (PubChem CID 64529402) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
PubChem CID64529402
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
SMILESN/C(=N\CCc1ncn[nH]1)Nc1ccccc1
InChIInChI=1S/C11H14N6/c12-11(16-9-4-2-1-3-5-9)13-7-6-10-14-8-15-17-10/h1-5,8H,6-7H2,(H3,12,13,16)(H,14,15,17)
InChIKeyOJYZXPZNFCEDAJ-UHFFFAOYSA-N
XLogP0.77
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]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-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 64874829
1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
1-phenyl-2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 114168040
1-hydroxy-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine
CID 64524593
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine
CID 10331400
2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine
CID 106401269
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrochloride
CID 138398183
2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide
CID 110925966
1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
CID 55063925

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine?
The IUPAC name of 1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine (CID 64529402) is 1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine?
The canonical SMILES for 1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine is N/C(=N\CCc1ncn[nH]1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine?
The InChIKey is OJYZXPZNFCEDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c12-11(16-9-4-2-1-3-5-9)13-7-6-10-14-8-15-17-10/h1-5,8H,6-7H2,(H3,12,13,16)(H,14,15,17).
What are the key properties of 1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine?
1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine has a molecular weight of 230.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 64529402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).