1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide

C10H18N6O — CID 55214211

IUPAC1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCCN(CCn1cc(C(=O)NN)nn1)C1CC1
InChIInChI=1S/C10H18N6O/c1-2-15(8-3-4-8)5-6-16-7-9(13-14-16)10(17)12-11/h7-8H,2-6,11H2,1H3,(H,12,17)
InChIKeyHDJOTKRHZZEZAO-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.63
Rot. Bonds6

About 1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide

1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide (PubChem CID 55214211) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
PubChem CID55214211
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCCN(CCn1cc(C(=O)NN)nn1)C1CC1
InChIInChI=1S/C10H18N6O/c1-2-15(8-3-4-8)5-6-16-7-9(13-14-16)10(17)12-11/h7-8H,2-6,11H2,1H3,(H,12,17)
InChIKeyHDJOTKRHZZEZAO-UHFFFAOYSA-N
XLogP-0.63
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide (CID 55214211) is 1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide is CCN(CCn1cc(C(=O)NN)nn1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide?
The InChIKey is HDJOTKRHZZEZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-2-15(8-3-4-8)5-6-16-7-9(13-14-16)10(17)12-11/h7-8H,2-6,11H2,1H3,(H,12,17).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide?
1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide has a molecular weight of 238.29 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 55214211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).