1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide

C11H22N6O — CID 55214016

IUPAC1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCCN(CCn1cc(C(=O)NN)nn1)CC(C)C
InChIInChI=1S/C11H22N6O/c1-4-16(7-9(2)3)5-6-17-8-10(14-15-17)11(18)13-12/h8-9H,4-7,12H2,1-3H3,(H,13,18)
InChIKeyAFCKNMZZAFVVMP-UHFFFAOYSA-N
MW254.34 g/mol
LogP-0.14
Rot. Bonds7

About 1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide

1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide (PubChem CID 55214016) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide
PubChem CID55214016
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCCN(CCn1cc(C(=O)NN)nn1)CC(C)C
InChIInChI=1S/C11H22N6O/c1-4-16(7-9(2)3)5-6-17-8-10(14-15-17)11(18)13-12/h8-9H,4-7,12H2,1-3H3,(H,13,18)
InChIKeyAFCKNMZZAFVVMP-UHFFFAOYSA-N
XLogP-0.14
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide (CID 55214016) is 1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide is CCN(CCn1cc(C(=O)NN)nn1)CC(C)C.
What is the InChIKey of 1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide?
The InChIKey is AFCKNMZZAFVVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-4-16(7-9(2)3)5-6-17-8-10(14-15-17)11(18)13-12/h8-9H,4-7,12H2,1-3H3,(H,13,18).
What are the key properties of 1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide?
1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide has a molecular weight of 254.34 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2-methylpropyl)amino]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 55214016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).