N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide

C15H11BrN6O — CID 155128871

IUPACN-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide
SMILESCc1cc2n[nH]nc2cc1C(=O)Nc1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C15H11BrN6O/c1-7-4-12-13(20-22-19-12)6-9(7)15(23)17-8-2-3-11-10(5-8)14(16)21-18-11/h2-6H,1H3,(H,17,23)(H,18,21)(H,19,20,22)
InChIKeyJRRHRQPUSNFGSL-UHFFFAOYSA-N
MW371.20 g/mol
LogP3.16
Rot. Bonds2

About N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide

N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide (PubChem CID 155128871) has the molecular formula C15H11BrN6O and a molecular weight of 371.20 g/mol. Its IUPAC name is N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide
PubChem CID155128871
Molecular FormulaC15H11BrN6O
Molecular Weight371.20 g/mol
Exact Mass370.02
IUPAC NameN-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide
SMILESCc1cc2n[nH]nc2cc1C(=O)Nc1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C15H11BrN6O/c1-7-4-12-13(20-22-19-12)6-9(7)15(23)17-8-2-3-11-10(5-8)14(16)21-18-11/h2-6H,1H3,(H,17,23)(H,18,21)(H,19,20,22)
InChIKeyJRRHRQPUSNFGSL-UHFFFAOYSA-N
XLogP3.16
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide (CID 155128871) is N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide is Cc1cc2n[nH]nc2cc1C(=O)Nc1ccc2n[nH]c(Br)c2c1.
What is the InChIKey of N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide?
The InChIKey is JRRHRQPUSNFGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN6O/c1-7-4-12-13(20-22-19-12)6-9(7)15(23)17-8-2-3-11-10(5-8)14(16)21-18-11/h2-6H,1H3,(H,17,23)(H,18,21)(H,19,20,22).
What are the key properties of N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide?
N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide has a molecular weight of 371.20 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2H-indazol-5-yl)-6-methyl-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 155128871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).