2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide

C12H18F3N5O — CID 102720618

IUPAC2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C12H18F3N5O/c1-7(2)5-20(6-9(16)21)11-4-8(12(13,14)15)3-10(18-11)19-17/h3-4,7H,5-6,17H2,1-2H3,(H2,16,21)(H,18,19)
InChIKeyAXKOJHMWGXYTOV-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.33
Rot. Bonds6

About 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide

2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide (PubChem CID 102720618) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide
PubChem CID102720618
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C12H18F3N5O/c1-7(2)5-20(6-9(16)21)11-4-8(12(13,14)15)3-10(18-11)19-17/h3-4,7H,5-6,17H2,1-2H3,(H2,16,21)(H,18,19)
InChIKeyAXKOJHMWGXYTOV-UHFFFAOYSA-N
XLogP1.33
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide (CID 102720618) is 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)c1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide?
The InChIKey is AXKOJHMWGXYTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-7(2)5-20(6-9(16)21)11-4-8(12(13,14)15)3-10(18-11)19-17/h3-4,7H,5-6,17H2,1-2H3,(H2,16,21)(H,18,19).
What are the key properties of 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide?
2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide has a molecular weight of 305.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 102720618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).