5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide

C16H14BrN5O — CID 140862073

IUPAC5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)Nc2ccc(Br)cc2)c1N
InChIInChI=1S/C16H14BrN5O/c1-10-4-2-3-5-13(10)22-15(18)14(20-21-22)16(23)19-12-8-6-11(17)7-9-12/h2-9H,18H2,1H3,(H,19,23)
InChIKeyUSTGOBCJLRHPMK-UHFFFAOYSA-N
MW372.23 g/mol
LogP3.17
Rot. Bonds3

About 5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide

5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide (PubChem CID 140862073) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide
PubChem CID140862073
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)Nc2ccc(Br)cc2)c1N
InChIInChI=1S/C16H14BrN5O/c1-10-4-2-3-5-13(10)22-15(18)14(20-21-22)16(23)19-12-8-6-11(17)7-9-12/h2-9H,18H2,1H3,(H,19,23)
InChIKeyUSTGOBCJLRHPMK-UHFFFAOYSA-N
XLogP3.17
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide (CID 140862073) is 5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide is Cc1ccccc1-n1nnc(C(=O)Nc2ccc(Br)cc2)c1N.
What is the InChIKey of 5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide?
The InChIKey is USTGOBCJLRHPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-10-4-2-3-5-13(10)22-15(18)14(20-21-22)16(23)19-12-8-6-11(17)7-9-12/h2-9H,18H2,1H3,(H,19,23).
What are the key properties of 5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide?
5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide has a molecular weight of 372.23 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 140862073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).