1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide

C13H17N5O3 — CID 63575381

IUPAC1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
SMILESCOc1ccc(COCCn2cc(C(=O)NN)nn2)cc1
InChIInChI=1S/C13H17N5O3/c1-20-11-4-2-10(3-5-11)9-21-7-6-18-8-12(16-17-18)13(19)15-14/h2-5,8H,6-7,9,14H2,1H3,(H,15,19)
InChIKeyNZCBAWXXRRMCSD-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.11
Rot. Bonds7

About 1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide

1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide (PubChem CID 63575381) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
PubChem CID63575381
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
SMILESCOc1ccc(COCCn2cc(C(=O)NN)nn2)cc1
InChIInChI=1S/C13H17N5O3/c1-20-11-4-2-10(3-5-11)9-21-7-6-18-8-12(16-17-18)13(19)15-14/h2-5,8H,6-7,9,14H2,1H3,(H,15,19)
InChIKeyNZCBAWXXRRMCSD-UHFFFAOYSA-N
XLogP0.11
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.11
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-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
CID 62456677
1-[2-(4-methoxy-N-methylanilino)ethyl]triazole-4-carbohydrazide
CID 63584927
1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63586475
1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide
CID 63574383
1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide
CID 63575951
1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]triazole-4-carbohydrazide
CID 55214193
1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide
CID 114158101
1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 63580485
1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide
CID 63574398
1-[2-(4-chloro-3-ethylphenoxy)ethyl]triazole-4-carbohydrazide
CID 63576428
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 130468342

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide (CID 63575381) is 1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide is COc1ccc(COCCn2cc(C(=O)NN)nn2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide?
The InChIKey is NZCBAWXXRRMCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-20-11-4-2-10(3-5-11)9-21-7-6-18-8-12(16-17-18)13(19)15-14/h2-5,8H,6-7,9,14H2,1H3,(H,15,19).
What are the key properties of 1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide?
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide has a molecular weight of 291.31 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63575381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).