2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide

C10H10ClN5O2 — CID 106597229

IUPAC2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
SMILESCn1cnc(Oc2cccc(Cl)c2/C(N)=N/O)n1
InChIInChI=1S/C10H10ClN5O2/c1-16-5-13-10(14-16)18-7-4-2-3-6(11)8(7)9(12)15-17/h2-5,17H,1H3,(H2,12,15)
InChIKeyAYUNWHVXNHVVBG-UHFFFAOYSA-N
MW267.68 g/mol
LogP1.36
Rot. Bonds3

About 2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide

2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide (PubChem CID 106597229) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
PubChem CID106597229
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
SMILESCn1cnc(Oc2cccc(Cl)c2/C(N)=N/O)n1
InChIInChI=1S/C10H10ClN5O2/c1-16-5-13-10(14-16)18-7-4-2-3-6(11)8(7)9(12)15-17/h2-5,17H,1H3,(H2,12,15)
InChIKeyAYUNWHVXNHVVBG-UHFFFAOYSA-N
XLogP1.36
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-chloro-N'-hydroxy-6-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 114323249
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997687
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 77003464
5-(2,3-dichlorophenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951926
2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide
CID 76945186
2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 55079423
2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323309
2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 114323317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide (CID 106597229) is 2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide is Cn1cnc(Oc2cccc(Cl)c2/C(N)=N/O)n1.
What is the InChIKey of 2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide?
The InChIKey is AYUNWHVXNHVVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-16-5-13-10(14-16)18-7-4-2-3-6(11)8(7)9(12)15-17/h2-5,17H,1H3,(H2,12,15).
What are the key properties of 2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide?
2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide has a molecular weight of 267.68 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide is sourced from PubChem (CID 106597229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).