1-(5-bromo-1H-indazol-3-yl)benzotriazole

C13H8BrN5 — CID 45104177

IUPAC1-(5-bromo-1H-indazol-3-yl)benzotriazole
SMILESBrc1ccc2[nH]nc(-n3nnc4ccccc43)c2c1
InChIInChI=1S/C13H8BrN5/c14-8-5-6-10-9(7-8)13(17-15-10)19-12-4-2-1-3-11(12)16-18-19/h1-7H,(H,15,17)
InChIKeyOQRCIHXWVLIIEL-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.06
Rot. Bonds1

About 1-(5-bromo-1H-indazol-3-yl)benzotriazole

1-(5-bromo-1H-indazol-3-yl)benzotriazole (PubChem CID 45104177) has the molecular formula C13H8BrN5 and a molecular weight of 314.15 g/mol. Its IUPAC name is 1-(5-bromo-1H-indazol-3-yl)benzotriazole.

Molecular Properties

Compound Name1-(5-bromo-1H-indazol-3-yl)benzotriazole
PubChem CID45104177
Molecular FormulaC13H8BrN5
Molecular Weight314.15 g/mol
Exact Mass313.00
IUPAC Name1-(5-bromo-1H-indazol-3-yl)benzotriazole
SMILESBrc1ccc2[nH]nc(-n3nnc4ccccc43)c2c1
InChIInChI=1S/C13H8BrN5/c14-8-5-6-10-9(7-8)13(17-15-10)19-12-4-2-1-3-11(12)16-18-19/h1-7H,(H,15,17)
InChIKeyOQRCIHXWVLIIEL-UHFFFAOYSA-N
XLogP3.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-indazol-3-yl)benzotriazole
CID 45104174
1-(5-methoxy-1H-indazol-3-yl)benzotriazole
CID 45104175
1-[5-bromo-2-(bromomethyl)phenyl]benzotriazole
CID 107085795
2-(benzotriazol-1-yl)-5-bromobenzenecarbothioamide
CID 114892143
5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole
CID 14823442
2-(benzotriazol-1-yl)-5-bromo-1,3,4-thiadiazole
CID 64623509
1-(3,5,6-trifluoro-2-pyridinyl)benzotriazole
CID 114072752
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
1-(5-bromo-3-nitro-2-pyridinyl)benzotriazole
CID 61374153
4-(benzotriazol-1-yl)-5-(4-bromophenyl)thieno[2,3-d]pyrimidine
CID 982637
3-(benzotriazol-1-yl)-5-bromobenzonitrile
CID 102817617
1-[2-(benzotriazol-1-yl)-5-bromophenyl]-N-ethylethanamine
CID 82953722

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indazol-3-yl)benzotriazole?
The IUPAC name of 1-(5-bromo-1H-indazol-3-yl)benzotriazole (CID 45104177) is 1-(5-bromo-1H-indazol-3-yl)benzotriazole.
What is the SMILES notation for 1-(5-bromo-1H-indazol-3-yl)benzotriazole?
The canonical SMILES for 1-(5-bromo-1H-indazol-3-yl)benzotriazole is Brc1ccc2[nH]nc(-n3nnc4ccccc43)c2c1.
What is the InChIKey of 1-(5-bromo-1H-indazol-3-yl)benzotriazole?
The InChIKey is OQRCIHXWVLIIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN5/c14-8-5-6-10-9(7-8)13(17-15-10)19-12-4-2-1-3-11(12)16-18-19/h1-7H,(H,15,17).
What are the key properties of 1-(5-bromo-1H-indazol-3-yl)benzotriazole?
1-(5-bromo-1H-indazol-3-yl)benzotriazole has a molecular weight of 314.15 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indazol-3-yl)benzotriazole is sourced from PubChem (CID 45104177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).