1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide

C12H25N7O — CID 63584216

IUPAC1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide
SMILESCCCN(CCN(C)C)CCn1cc(C(=O)NN)nn1
InChIInChI=1S/C12H25N7O/c1-4-5-18(7-6-17(2)3)8-9-19-10-11(15-16-19)12(20)14-13/h10H,4-9,13H2,1-3H3,(H,14,20)
InChIKeyIYPLYXHEFGLRBX-UHFFFAOYSA-N
MW283.38 g/mol
LogP-0.84
Rot. Bonds9

About 1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide

1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide (PubChem CID 63584216) has the molecular formula C12H25N7O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide
PubChem CID63584216
Molecular FormulaC12H25N7O
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide
SMILESCCCN(CCN(C)C)CCn1cc(C(=O)NN)nn1
InChIInChI=1S/C12H25N7O/c1-4-5-18(7-6-17(2)3)8-9-19-10-11(15-16-19)12(20)14-13/h10H,4-9,13H2,1-3H3,(H,14,20)
InChIKeyIYPLYXHEFGLRBX-UHFFFAOYSA-N
XLogP-0.84
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-0.84
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-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide (CID 63584216) is 1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide is CCCN(CCN(C)C)CCn1cc(C(=O)NN)nn1.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide?
The InChIKey is IYPLYXHEFGLRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N7O/c1-4-5-18(7-6-17(2)3)8-9-19-10-11(15-16-19)12(20)14-13/h10H,4-9,13H2,1-3H3,(H,14,20).
What are the key properties of 1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide?
1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide has a molecular weight of 283.38 g/mol, XLogP of -0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63584216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).