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

C11H21N7O — CID 55214977

IUPAC1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
SMILESCCN1CCN(CCn2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C11H21N7O/c1-2-16-3-5-17(6-4-16)7-8-18-9-10(14-15-18)11(19)13-12/h9H,2-8,12H2,1H3,(H,13,19)
InChIKeyYMUQOVNVBMKHKY-UHFFFAOYSA-N
MW267.34 g/mol
LogP-1.48
Rot. Bonds5

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

1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide (PubChem CID 55214977) has the molecular formula C11H21N7O and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
PubChem CID55214977
Molecular FormulaC11H21N7O
Molecular Weight267.34 g/mol
Exact Mass267.18
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
SMILESCCN1CCN(CCn2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C11H21N7O/c1-2-16-3-5-17(6-4-16)7-8-18-9-10(14-15-18)11(19)13-12/h9H,2-8,12H2,1H3,(H,13,19)
InChIKeyYMUQOVNVBMKHKY-UHFFFAOYSA-N
XLogP-1.48
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 5-1.48
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide (CID 55214977) is 1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide is CCN1CCN(CCn2cc(C(=O)NN)nn2)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide?
The InChIKey is YMUQOVNVBMKHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O/c1-2-16-3-5-17(6-4-16)7-8-18-9-10(14-15-18)11(19)13-12/h9H,2-8,12H2,1H3,(H,13,19).
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide?
1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide has a molecular weight of 267.34 g/mol, XLogP of -1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 55214977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).