2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide

C19H19BrN4O2 — CID 142035171

IUPAC2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(C3=NCC(=O)NN3)cc2)c(C)cc1Br
InChIInChI=1S/C19H19BrN4O2/c1-11-8-16(20)12(2)7-14(11)9-17(25)22-15-5-3-13(4-6-15)19-21-10-18(26)23-24-19/h3-8H,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyHIQOWSIQQUFEJH-UHFFFAOYSA-N
MW415.29 g/mol
LogP2.63
Rot. Bonds4

About 2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide

2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide (PubChem CID 142035171) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide
PubChem CID142035171
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(C3=NCC(=O)NN3)cc2)c(C)cc1Br
InChIInChI=1S/C19H19BrN4O2/c1-11-8-16(20)12(2)7-14(11)9-17(25)22-15-5-3-13(4-6-15)19-21-10-18(26)23-24-19/h3-8H,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyHIQOWSIQQUFEJH-UHFFFAOYSA-N
XLogP2.63
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide (CID 142035171) is 2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide is Cc1cc(CC(=O)Nc2ccc(C3=NCC(=O)NN3)cc2)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide?
The InChIKey is HIQOWSIQQUFEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-11-8-16(20)12(2)7-14(11)9-17(25)22-15-5-3-13(4-6-15)19-21-10-18(26)23-24-19/h3-8H,9-10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide?
2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide has a molecular weight of 415.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 142035171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).