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

C12H24N6O — CID 55214249

IUPAC1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide
SMILESCC(C)CN(CCn1cc(C(=O)NN)nn1)C(C)C
InChIInChI=1S/C12H24N6O/c1-9(2)7-17(10(3)4)5-6-18-8-11(15-16-18)12(19)14-13/h8-10H,5-7,13H2,1-4H3,(H,14,19)
InChIKeyIBKDQGZUHNJZQG-UHFFFAOYSA-N
MW268.37 g/mol
LogP0.25
Rot. Bonds7

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

1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide (PubChem CID 55214249) has the molecular formula C12H24N6O and a molecular weight of 268.37 g/mol. Its IUPAC name is 1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide
PubChem CID55214249
Molecular FormulaC12H24N6O
Molecular Weight268.37 g/mol
Exact Mass268.20
IUPAC Name1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide
SMILESCC(C)CN(CCn1cc(C(=O)NN)nn1)C(C)C
InChIInChI=1S/C12H24N6O/c1-9(2)7-17(10(3)4)5-6-18-8-11(15-16-18)12(19)14-13/h8-10H,5-7,13H2,1-4H3,(H,14,19)
InChIKeyIBKDQGZUHNJZQG-UHFFFAOYSA-N
XLogP0.25
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 50.25
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-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide (CID 55214249) is 1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide is CC(C)CN(CCn1cc(C(=O)NN)nn1)C(C)C.
What is the InChIKey of 1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide?
The InChIKey is IBKDQGZUHNJZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-9(2)7-17(10(3)4)5-6-18-8-11(15-16-18)12(19)14-13/h8-10H,5-7,13H2,1-4H3,(H,14,19).
What are the key properties of 1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide?
1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide has a molecular weight of 268.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 55214249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).