2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine

C13H11ClN4O — CID 741095

IUPAC2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine
SMILESCOc1ccc(-n2nc3ccc(N)cc3n2)cc1Cl
InChIInChI=1S/C13H11ClN4O/c1-19-13-5-3-9(7-10(13)14)18-16-11-4-2-8(15)6-12(11)17-18/h2-7H,15H2,1H3
InChIKeyOXCYKAHSAZUSBK-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.66
Rot. Bonds2

About 2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine

2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine (PubChem CID 741095) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine
PubChem CID741095
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine
SMILESCOc1ccc(-n2nc3ccc(N)cc3n2)cc1Cl
InChIInChI=1S/C13H11ClN4O/c1-19-13-5-3-9(7-10(13)14)18-16-11-4-2-8(15)6-12(11)17-18/h2-7H,15H2,1H3
InChIKeyOXCYKAHSAZUSBK-UHFFFAOYSA-N
XLogP2.66
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 721106
2-(4-Methoxyphenyl)-2H-1,2,3-benzotriazol-5-ylamine
CID 721101
N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]methanesulfonamide
CID 1091853
2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 2722200
5,6-Dichloro-2-(4-methoxyphenyl)benzotriazole
CID 127035173
2-(3-Methoxyphenyl)benzotriazol-5-amine
CID 960734
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide
CID 17334916
6-Fluoro-2-(4-propoxyphenyl)-2H-benzo[d][1,2,3]triazol-5-amine
CID 91684214
2,1,3-Benzothiadiazol-4-amine, 7-[2-(5-chloro-2-methoxyphenyl)diazenyl]-
CID 165365169
N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2,2-dimethylpropanamide
CID 1048335
4-[(4-methoxyphenyl)diazenyl]-2H-benzotriazol-5-amine
CID 13009270
[2-Chloro-4-(5-methoxybenzotriazol-2-yl)phenyl] formate
CID 21434710

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine (CID 741095) is 2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine is COc1ccc(-n2nc3ccc(N)cc3n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine?
The InChIKey is OXCYKAHSAZUSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-19-13-5-3-9(7-10(13)14)18-16-11-4-2-8(15)6-12(11)17-18/h2-7H,15H2,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine?
2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine has a molecular weight of 274.71 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine is sourced from PubChem (CID 741095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).