N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide

C8H15N5 — CID 106304244

IUPACN'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide
SMILESCC/C(N)=N\Cc1nncn1CC
InChIInChI=1S/C8H15N5/c1-3-7(9)10-5-8-12-11-6-13(8)4-2/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyQTPLSAXRQYIQJB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.57
Rot. Bonds4

About N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide

N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide (PubChem CID 106304244) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide.

Molecular Properties

Compound NameN'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide
PubChem CID106304244
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC NameN'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide
SMILESCC/C(N)=N\Cc1nncn1CC
InChIInChI=1S/C8H15N5/c1-3-7(9)10-5-8-12-11-6-13(8)4-2/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyQTPLSAXRQYIQJB-UHFFFAOYSA-N
XLogP0.57
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide 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-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-hydroxyguanidine
CID 106304216
N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide
CID 63177133
1-(3,4-dimethylphenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111065910
2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methoxyphenyl)guanidine
CID 111065892
1-cyclopropyl-3-ethyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 110988906
1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111065936
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111065950
2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111065921
N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111065961
1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111065935
1-ethyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187751
1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62692789

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide?
The IUPAC name of N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide (CID 106304244) is N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide.
What is the SMILES notation for N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide?
The canonical SMILES for N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide is CC/C(N)=N\Cc1nncn1CC.
What is the InChIKey of N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide?
The InChIKey is QTPLSAXRQYIQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-3-7(9)10-5-8-12-11-6-13(8)4-2/h6H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide?
N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide has a molecular weight of 181.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide is sourced from PubChem (CID 106304244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).