6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole

C18H15BrClN5O — CID 146433259

IUPAC6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole
SMILESClc1cc(Br)cc2c1nnn2-c1ccc2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C18H15BrClN5O/c19-12-7-14(20)18-16(8-12)24(23-22-18)13-5-4-11-10-21-25(15(11)9-13)17-3-1-2-6-26-17/h4-5,7-10,17H,1-3,6H2
InChIKeyXKCVHZXLWSMGFR-UHFFFAOYSA-N
MW432.71 g/mol
LogP4.89
Rot. Bonds2

About 6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole

6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole (PubChem CID 146433259) has the molecular formula C18H15BrClN5O and a molecular weight of 432.71 g/mol. Its IUPAC name is 6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole.

Molecular Properties

Compound Name6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole
PubChem CID146433259
Molecular FormulaC18H15BrClN5O
Molecular Weight432.71 g/mol
Exact Mass431.01
IUPAC Name6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole
SMILESClc1cc(Br)cc2c1nnn2-c1ccc2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C18H15BrClN5O/c19-12-7-14(20)18-16(8-12)24(23-22-18)13-5-4-11-10-21-25(15(11)9-13)17-3-1-2-6-26-17/h4-5,7-10,17H,1-3,6H2
InChIKeyXKCVHZXLWSMGFR-UHFFFAOYSA-N
XLogP4.89
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.71
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-chloro-3-[1-(oxan-2-yl)indazol-6-yl]benzotriazol-5-yl]ethanone
CID 162477218
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962
[1-(oxan-2-yl)indazol-6-yl]methanamine
CID 18616200
1-[(2S)-oxan-2-yl]indazole
CID 124562379
6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine
CID 124518404
bromomethyl 1-(oxan-2-yl)indazole-6-carboxylate
CID 168860829
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide
CID 175874414
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole?
The IUPAC name of 6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole (CID 146433259) is 6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole.
What is the SMILES notation for 6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole?
The canonical SMILES for 6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole is Clc1cc(Br)cc2c1nnn2-c1ccc2cnn(C3CCCCO3)c2c1.
What is the InChIKey of 6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole?
The InChIKey is XKCVHZXLWSMGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN5O/c19-12-7-14(20)18-16(8-12)24(23-22-18)13-5-4-11-10-21-25(15(11)9-13)17-3-1-2-6-26-17/h4-5,7-10,17H,1-3,6H2.
What are the key properties of 6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole?
6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole has a molecular weight of 432.71 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole is sourced from PubChem (CID 146433259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).