5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide

C17H15BrN4O3 — CID 169403795

IUPAC5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1cc(-c2n[nH]nc2C(N)=O)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C17H15BrN4O3/c1-24-13-8-11(14-15(17(19)23)21-22-20-14)7-12(18)16(13)25-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyIPPKMNVPFJIPDZ-UHFFFAOYSA-N
MW403.24 g/mol
LogP2.92
Rot. Bonds6

About 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide

5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169403795) has the molecular formula C17H15BrN4O3 and a molecular weight of 403.24 g/mol. Its IUPAC name is 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169403795
Molecular FormulaC17H15BrN4O3
Molecular Weight403.24 g/mol
Exact Mass402.03
IUPAC Name5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1cc(-c2n[nH]nc2C(N)=O)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C17H15BrN4O3/c1-24-13-8-11(14-15(17(19)23)21-22-20-14)7-12(18)16(13)25-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyIPPKMNVPFJIPDZ-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-[3-bromo-5-methoxy-4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169404020
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
[2-bromo-4-(5-carbamoyl-2H-triazol-4-yl)-6-methoxyphenyl] benzoate
CID 169404005
5-[3-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169404022
[2-bromo-4-(5-carbamoyl-2H-triazol-4-yl)-6-ethoxyphenyl] benzoate
CID 169404014
5-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403701
[4-(5-carbamoyl-2H-triazol-4-yl)-2-iodo-6-methoxyphenyl] benzoate
CID 169404065
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321
ethyl 5-[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169401143
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide (CID 169403795) is 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide is COc1cc(-c2n[nH]nc2C(N)=O)cc(Br)c1OCc1ccccc1.
What is the InChIKey of 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is IPPKMNVPFJIPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O3/c1-24-13-8-11(14-15(17(19)23)21-22-20-14)7-12(18)16(13)25-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,19,23)(H,20,21,22).
What are the key properties of 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide?
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-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-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).