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

C13H9N5 — CID 45104174

IUPAC1-(1H-indazol-3-yl)benzotriazole
SMILESc1ccc2c(c1)nnn2-c1n[nH]c2ccccc12
InChIInChI=1S/C13H9N5/c1-2-6-10-9(5-1)13(16-14-10)18-12-8-4-3-7-11(12)15-17-18/h1-8H,(H,14,16)
InChIKeyFSIITXXIXFXBMR-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.30
Rot. Bonds1

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

1-(1H-indazol-3-yl)benzotriazole (PubChem CID 45104174) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)benzotriazole.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)benzotriazole
PubChem CID45104174
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name1-(1H-indazol-3-yl)benzotriazole
SMILESc1ccc2c(c1)nnn2-c1n[nH]c2ccccc12
InChIInChI=1S/C13H9N5/c1-2-6-10-9(5-1)13(16-14-10)18-12-8-4-3-7-11(12)15-17-18/h1-8H,(H,14,16)
InChIKeyFSIITXXIXFXBMR-UHFFFAOYSA-N
XLogP2.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-1H-indazol-3-yl)benzotriazole
CID 45104177
1-(5-methoxy-1H-indazol-3-yl)benzotriazole
CID 45104175
4-(benzotriazol-1-yl)-2-phenylquinazoline
CID 2455828
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
3-(benzotriazol-1-yl)oxazin-4-one
CID 175052746
4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline
CID 110435831
2-(benzotriazol-1-yl)pyridin-3-amine
CID 42281444
1-(10-phenylanthracen-9-yl)benzotriazole
CID 87098242
3-(azocan-1-yl)-1H-indazole
CID 178043244
1-(3,5,6-trifluoro-2-pyridinyl)benzotriazole
CID 114072752
2-(benzotriazol-1-yl)-5-bromo-1,3,4-thiadiazole
CID 64623509
2-(benzotriazol-1-yl)-6-chloropyridin-3-amine
CID 113317011

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)benzotriazole?
The IUPAC name of 1-(1H-indazol-3-yl)benzotriazole (CID 45104174) is 1-(1H-indazol-3-yl)benzotriazole.
What is the SMILES notation for 1-(1H-indazol-3-yl)benzotriazole?
The canonical SMILES for 1-(1H-indazol-3-yl)benzotriazole is c1ccc2c(c1)nnn2-c1n[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indazol-3-yl)benzotriazole?
The InChIKey is FSIITXXIXFXBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c1-2-6-10-9(5-1)13(16-14-10)18-12-8-4-3-7-11(12)15-17-18/h1-8H,(H,14,16).
What are the key properties of 1-(1H-indazol-3-yl)benzotriazole?
1-(1H-indazol-3-yl)benzotriazole has a molecular weight of 235.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)benzotriazole is sourced from PubChem (CID 45104174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).