N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide

C12H14F3N3O3 — CID 171822903

IUPACN'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide
SMILESCN(NC(O)(O)c1ccc(C(F)(F)F)cn1)C(=O)C1CC1
InChIInChI=1S/C12H14F3N3O3/c1-18(10(19)7-2-3-7)17-12(20,21)9-5-4-8(6-16-9)11(13,14)15/h4-7,17,20-21H,2-3H2,1H3
InChIKeyWKBPNGBZTMJZGW-UHFFFAOYSA-N
MW305.26 g/mol
LogP0.57
Rot. Bonds4

About N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide

N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide (PubChem CID 171822903) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide
PubChem CID171822903
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC NameN'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide
SMILESCN(NC(O)(O)c1ccc(C(F)(F)F)cn1)C(=O)C1CC1
InChIInChI=1S/C12H14F3N3O3/c1-18(10(19)7-2-3-7)17-12(20,21)9-5-4-8(6-16-9)11(13,14)15/h4-7,17,20-21H,2-3H2,1H3
InChIKeyWKBPNGBZTMJZGW-UHFFFAOYSA-N
XLogP0.57
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide
CID 171823618
N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide
CID 171822920
ethane;methyl 5-(trifluoromethyl)pyridine-2-carboxylate;2-[5-(trifluoromethyl)-2-pyridinyl]propan-2-ol
CID 163274429
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66032182
4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171822844
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 110604257
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106321029
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
CID 119552569
2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate
CID 154244901
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603

Frequently Asked Questions

What is the IUPAC name of N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide?
The IUPAC name of N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide (CID 171822903) is N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide.
What is the SMILES notation for N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide?
The canonical SMILES for N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide is CN(NC(O)(O)c1ccc(C(F)(F)F)cn1)C(=O)C1CC1.
What is the InChIKey of N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide?
The InChIKey is WKBPNGBZTMJZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-18(10(19)7-2-3-7)17-12(20,21)9-5-4-8(6-16-9)11(13,14)15/h4-7,17,20-21H,2-3H2,1H3.
What are the key properties of N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide?
N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide has a molecular weight of 305.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide is sourced from PubChem (CID 171822903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).