4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide

C10H9BrN4O2 — CID 83093226

IUPAC4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C10H9BrN4O2/c1-17-10-13-9(14-15-10)12-8(16)6-2-4-7(11)5-3-6/h2-5H,1H3,(H2,12,13,14,15,16)
InChIKeyCEGADKGKYKTJCU-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.83
Rot. Bonds3

About 4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide

4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 83093226) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID83093226
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C10H9BrN4O2/c1-17-10-13-9(14-15-10)12-8(16)6-2-4-7(11)5-3-6/h2-5H,1H3,(H2,12,13,14,15,16)
InChIKeyCEGADKGKYKTJCU-UHFFFAOYSA-N
XLogP1.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-propan-2-ylbenzamide
CID 83086635
4-(chloromethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83102350
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 83090269
4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83101910
4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83090297
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide
CID 83090123
N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 83092476
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 83092289
N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 83097711
3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
CID 107519851
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537
7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide
CID 83101934

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (CID 83093226) is 4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is COc1n[nH]c(NC(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is CEGADKGKYKTJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c1-17-10-13-9(14-15-10)12-8(16)6-2-4-7(11)5-3-6/h2-5H,1H3,(H2,12,13,14,15,16).
What are the key properties of 4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 297.11 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 83093226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).