1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide

C13H17N5O3 — CID 97032406

IUPAC1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide
SMILESCCOc1ccc([C@@H](O)Cn2cc(C(=O)NN)nn2)cc1
InChIInChI=1S/C13H17N5O3/c1-2-21-10-5-3-9(4-6-10)12(19)8-18-7-11(16-17-18)13(20)15-14/h3-7,12,19H,2,8,14H2,1H3,(H,15,20)/t12-/m0/s1
InChIKeyBURJVZFIGJJGJA-LBPRGKRZSA-N
MW291.31 g/mol
LogP0.01
Rot. Bonds6

About 1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide

1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide (PubChem CID 97032406) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide
PubChem CID97032406
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide
SMILESCCOc1ccc([C@@H](O)Cn2cc(C(=O)NN)nn2)cc1
InChIInChI=1S/C13H17N5O3/c1-2-21-10-5-3-9(4-6-10)12(19)8-18-7-11(16-17-18)13(20)15-14/h3-7,12,19H,2,8,14H2,1H3,(H,15,20)/t12-/m0/s1
InChIKeyBURJVZFIGJJGJA-LBPRGKRZSA-N
XLogP0.01
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.01
H-Bond Donors ≤ 53
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-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]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-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide (CID 97032406) is 1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide is CCOc1ccc([C@@H](O)Cn2cc(C(=O)NN)nn2)cc1.
What is the InChIKey of 1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide?
The InChIKey is BURJVZFIGJJGJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-2-21-10-5-3-9(4-6-10)12(19)8-18-7-11(16-17-18)13(20)15-14/h3-7,12,19H,2,8,14H2,1H3,(H,15,20)/t12-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide?
1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide has a molecular weight of 291.31 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 97032406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).