N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide

C16H13F3N4O2 — CID 102030011

IUPACN-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide
SMILESCOc1c(F)c(F)c2c(/N=C(\NO)c3ccccc3)nn(C)c2c1F
InChIInChI=1S/C16H13F3N4O2/c1-23-13-9(10(17)11(18)14(25-2)12(13)19)16(21-23)20-15(22-24)8-6-4-3-5-7-8/h3-7,24H,1-2H3,(H,20,21,22)
InChIKeyNMHUTEXHMYXLDL-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.06
Rot. Bonds3

About N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide

N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide (PubChem CID 102030011) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide
PubChem CID102030011
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC NameN-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide
SMILESCOc1c(F)c(F)c2c(/N=C(\NO)c3ccccc3)nn(C)c2c1F
InChIInChI=1S/C16H13F3N4O2/c1-23-13-9(10(17)11(18)14(25-2)12(13)19)16(21-23)20-15(22-24)8-6-4-3-5-7-8/h3-7,24H,1-2H3,(H,20,21,22)
InChIKeyNMHUTEXHMYXLDL-UHFFFAOYSA-N
XLogP3.06
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide?
The IUPAC name of N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide (CID 102030011) is N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide?
The canonical SMILES for N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide is COc1c(F)c(F)c2c(/N=C(\NO)c3ccccc3)nn(C)c2c1F.
What is the InChIKey of N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide?
The InChIKey is NMHUTEXHMYXLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-23-13-9(10(17)11(18)14(25-2)12(13)19)16(21-23)20-15(22-24)8-6-4-3-5-7-8/h3-7,24H,1-2H3,(H,20,21,22).
What are the key properties of N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide?
N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide has a molecular weight of 350.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 102030011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).