1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide

C12H15N5O3 — CID 63679833

IUPAC1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCOc2ccccc2CO)nn1
InChIInChI=1S/C12H15N5O3/c13-14-12(19)10-7-17(16-15-10)5-6-20-11-4-2-1-3-9(11)8-18/h1-4,7,18H,5-6,8,13H2,(H,14,19)
InChIKeyUHAIHOWNPZXTKS-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.55
Rot. Bonds6

About 1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide

1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide (PubChem CID 63679833) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide
PubChem CID63679833
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCOc2ccccc2CO)nn1
InChIInChI=1S/C12H15N5O3/c13-14-12(19)10-7-17(16-15-10)5-6-20-11-4-2-1-3-9(11)8-18/h1-4,7,18H,5-6,8,13H2,(H,14,19)
InChIKeyUHAIHOWNPZXTKS-UHFFFAOYSA-N
XLogP-0.55
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.55
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide (CID 63679833) is 1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide is NNC(=O)c1cn(CCOc2ccccc2CO)nn1.
What is the InChIKey of 1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide?
The InChIKey is UHAIHOWNPZXTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c13-14-12(19)10-7-17(16-15-10)5-6-20-11-4-2-1-3-9(11)8-18/h1-4,7,18H,5-6,8,13H2,(H,14,19).
What are the key properties of 1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide?
1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide has a molecular weight of 277.28 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(hydroxymethyl)phenoxy]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63679833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).