N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide

C12H14F3N3O — CID 171823618

IUPACN-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide
SMILESCN(NCc1ccc(C(F)(F)F)nc1)C(=O)C1CC1
InChIInChI=1S/C12H14F3N3O/c1-18(11(19)9-3-4-9)17-7-8-2-5-10(16-6-8)12(13,14)15/h2,5-6,9,17H,3-4,7H2,1H3
InChIKeyOHWNREYHMJQEPR-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.97
Rot. Bonds4

About N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide

N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide (PubChem CID 171823618) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide
PubChem CID171823618
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC NameN-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide
SMILESCN(NCc1ccc(C(F)(F)F)nc1)C(=O)C1CC1
InChIInChI=1S/C12H14F3N3O/c1-18(11(19)9-3-4-9)17-7-8-2-5-10(16-6-8)12(13,14)15/h2,5-6,9,17H,3-4,7H2,1H3
InChIKeyOHWNREYHMJQEPR-UHFFFAOYSA-N
XLogP1.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide
CID 171822903
2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 90261944
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
tert-butyl N-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]carbamate
CID 137356809
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid
CID 166288554
4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 71197021
2,2-difluoro-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738078
1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
CID 169111944
N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide
CID 171822920
1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 175089211
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide?
The IUPAC name of N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide (CID 171823618) is N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide?
The canonical SMILES for N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide is CN(NCc1ccc(C(F)(F)F)nc1)C(=O)C1CC1.
What is the InChIKey of N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide?
The InChIKey is OHWNREYHMJQEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-18(11(19)9-3-4-9)17-7-8-2-5-10(16-6-8)12(13,14)15/h2,5-6,9,17H,3-4,7H2,1H3.
What are the key properties of N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide?
N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide has a molecular weight of 273.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 171823618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).