N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide

C10H13F3N4O — CID 77126126

IUPACN'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
SMILESCN(CCC(N)=NO)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H13F3N4O/c1-17(5-3-8(14)16-18)9-6-7(2-4-15-9)10(11,12)13/h2,4,6,18H,3,5H2,1H3,(H2,14,16)
InChIKeyLZKHFEKBPULDDI-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.67
Rot. Bonds4

About N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide

N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide (PubChem CID 77126126) has the molecular formula C10H13F3N4O and a molecular weight of 262.24 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
PubChem CID77126126
Molecular FormulaC10H13F3N4O
Molecular Weight262.24 g/mol
Exact Mass262.10
IUPAC NameN'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
SMILESCN(CCC(N)=NO)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H13F3N4O/c1-17(5-3-8(14)16-18)9-6-7(2-4-15-9)10(11,12)13/h2,4,6,18H,3,5H2,1H3,(H2,14,16)
InChIKeyLZKHFEKBPULDDI-UHFFFAOYSA-N
XLogP1.67
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide (CID 77126126) is N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide is CN(CCC(N)=NO)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide?
The InChIKey is LZKHFEKBPULDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-17(5-3-8(14)16-18)9-6-7(2-4-15-9)10(11,12)13/h2,4,6,18H,3,5H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide?
N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide has a molecular weight of 262.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide is sourced from PubChem (CID 77126126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).