5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide

C17H15BrN4O3 — CID 169403701

IUPAC5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCOc1cccc(-c2n[nH]nc2C(N)=O)c1OCc1cccc(Br)c1
InChIInChI=1S/C17H15BrN4O3/c1-24-13-7-3-6-12(14-15(17(19)23)21-22-20-14)16(13)25-9-10-4-2-5-11(18)8-10/h2-8H,9H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyPMUMVXIKZDIWBP-UHFFFAOYSA-N
MW403.24 g/mol
LogP2.92
Rot. Bonds6

About 5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide

5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide (PubChem CID 169403701) has the molecular formula C17H15BrN4O3 and a molecular weight of 403.24 g/mol. Its IUPAC name is 5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
PubChem CID169403701
Molecular FormulaC17H15BrN4O3
Molecular Weight403.24 g/mol
Exact Mass402.03
IUPAC Name5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCOc1cccc(-c2n[nH]nc2C(N)=O)c1OCc1cccc(Br)c1
InChIInChI=1S/C17H15BrN4O3/c1-24-13-7-3-6-12(14-15(17(19)23)21-22-20-14)16(13)25-9-10-4-2-5-11(18)8-10/h2-8H,9H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyPMUMVXIKZDIWBP-UHFFFAOYSA-N
XLogP2.92
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403698
ethyl 5-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169400705
5-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403329
5-[2-(3-cyanopropoxy)-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403937
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169403795
ethyl 5-(2-ethoxy-3-methoxyphenyl)-2H-triazole-4-carboxylate
CID 169399469
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403348
2-amino-4-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406712
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide (CID 169403701) is 5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide is COc1cccc(-c2n[nH]nc2C(N)=O)c1OCc1cccc(Br)c1.
What is the InChIKey of 5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide?
The InChIKey is PMUMVXIKZDIWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O3/c1-24-13-7-3-6-12(14-15(17(19)23)21-22-20-14)16(13)25-9-10-4-2-5-11(18)8-10/h2-8H,9H2,1H3,(H2,19,23)(H,20,21,22).
What are the key properties of 5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide?
5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide has a molecular weight of 403.24 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).