1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide

C12H22N6O2 — CID 63573572

IUPAC1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide
SMILESCCOC1CCN(CCn2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C12H22N6O2/c1-2-20-10-3-5-17(6-4-10)7-8-18-9-11(15-16-18)12(19)14-13/h9-10H,2-8,13H2,1H3,(H,14,19)
InChIKeyOBKYTAKJJUNYGQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.62
Rot. Bonds6

About 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide

1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide (PubChem CID 63573572) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide
PubChem CID63573572
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide
SMILESCCOC1CCN(CCn2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C12H22N6O2/c1-2-20-10-3-5-17(6-4-10)7-8-18-9-11(15-16-18)12(19)14-13/h9-10H,2-8,13H2,1H3,(H,14,19)
InChIKeyOBKYTAKJJUNYGQ-UHFFFAOYSA-N
XLogP-0.62
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4-ethoxypiperidin-1-yl)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

Related Compounds

1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid
CID 61220921
2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 63579535
1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide
CID 79164963
1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
CID 55214791
1-(2-cyclohexyloxyethyl)triazole-4-carbohydrazide
CID 63588317
1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63572290
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45218907
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide
CID 63583913
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide
CID 79920562
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]triazole-4-carbohydrazide
CID 65322216
1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide
CID 63578946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide (CID 63573572) is 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide is CCOC1CCN(CCn2cc(C(=O)NN)nn2)CC1.
What is the InChIKey of 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide?
The InChIKey is OBKYTAKJJUNYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-2-20-10-3-5-17(6-4-10)7-8-18-9-11(15-16-18)12(19)14-13/h9-10H,2-8,13H2,1H3,(H,14,19).
What are the key properties of 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide?
1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide has a molecular weight of 282.35 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63573572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).