1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide

C10H17N5O3 — CID 63568612

IUPAC1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCOCC2CCOC2)nn1
InChIInChI=1S/C10H17N5O3/c11-12-10(16)9-5-15(14-13-9)2-4-18-7-8-1-3-17-6-8/h5,8H,1-4,6-7,11H2,(H,12,16)
InChIKeyHUFJUEOVPBCTOZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.07
Rot. Bonds6

About 1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide

1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide (PubChem CID 63568612) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide
PubChem CID63568612
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCOCC2CCOC2)nn1
InChIInChI=1S/C10H17N5O3/c11-12-10(16)9-5-15(14-13-9)2-4-18-7-8-1-3-17-6-8/h5,8H,1-4,6-7,11H2,(H,12,16)
InChIKeyHUFJUEOVPBCTOZ-UHFFFAOYSA-N
XLogP-1.07
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide
CID 114158101
1-(2-cyclohexyloxyethyl)triazole-4-carbohydrazide
CID 63588317
methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
CID 129412512
1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide
CID 63574383
2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 114131907
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63575381
1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide
CID 63574398
2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 63579535
1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63586475
2-(oxolan-3-ylmethoxy)acetohydrazide
CID 63570032
1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide
CID 63580319
1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 63580485

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide (CID 63568612) is 1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide is NNC(=O)c1cn(CCOCC2CCOC2)nn1.
What is the InChIKey of 1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide?
The InChIKey is HUFJUEOVPBCTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c11-12-10(16)9-5-15(14-13-9)2-4-18-7-8-1-3-17-6-8/h5,8H,1-4,6-7,11H2,(H,12,16).
What are the key properties of 1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide?
1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide has a molecular weight of 255.28 g/mol, XLogP of -1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63568612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).