5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide

C14H16BrN5O — CID 169404657

IUPAC5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(Br)cc1N1CCCCC1
InChIInChI=1S/C14H16BrN5O/c15-9-4-5-10(12-13(14(16)21)18-19-17-12)11(8-9)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7H2,(H2,16,21)(H,17,18,19)
InChIKeyUMXRLNSBDVPEOQ-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.32
Rot. Bonds3

About 5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide

5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide (PubChem CID 169404657) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is 5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide
PubChem CID169404657
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(Br)cc1N1CCCCC1
InChIInChI=1S/C14H16BrN5O/c15-9-4-5-10(12-13(14(16)21)18-19-17-12)11(8-9)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7H2,(H2,16,21)(H,17,18,19)
InChIKeyUMXRLNSBDVPEOQ-UHFFFAOYSA-N
XLogP2.32
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(4-bromo-2-pyrrolidin-1-ylphenyl)-2H-triazole-4-carboxylate
CID 169400225
5-[4-pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402955
2-(azocan-1-yl)-4-bromobenzenecarbothioamide
CID 114902730
5-[5-bromo-2-(3-cyanopropoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403928
5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide
CID 169403975
5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402586
ethyl 5-(4-bromo-2-methylphenyl)-2H-triazole-4-carboxylate
CID 169399200
4-bromo-2-pyrrolidin-1-ylphenol
CID 84703170
5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403649
5-(3-bromo-4-fluoro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404864
5-(4-bromo-2-fluoro-5-iodophenyl)-2H-triazole-4-carboxamide
CID 169404931
5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide
CID 169402181

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide (CID 169404657) is 5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccc(Br)cc1N1CCCCC1.
What is the InChIKey of 5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is UMXRLNSBDVPEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c15-9-4-5-10(12-13(14(16)21)18-19-17-12)11(8-9)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7H2,(H2,16,21)(H,17,18,19).
What are the key properties of 5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide?
5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).