5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine

C13H16BrN3O — CID 137484798

IUPAC5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine
SMILESCc1c(Br)cc2cn[nH]c2c1NC1CCOCC1
InChIInChI=1S/C13H16BrN3O/c1-8-11(14)6-9-7-15-17-13(9)12(8)16-10-2-4-18-5-3-10/h6-7,10,16H,2-5H2,1H3,(H,15,17)
InChIKeyUHBHJNUXLFBHRD-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.22
Rot. Bonds2

About 5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine

5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine (PubChem CID 137484798) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine
PubChem CID137484798
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine
SMILESCc1c(Br)cc2cn[nH]c2c1NC1CCOCC1
InChIInChI=1S/C13H16BrN3O/c1-8-11(14)6-9-7-15-17-13(9)12(8)16-10-2-4-18-5-3-10/h6-7,10,16H,2-5H2,1H3,(H,15,17)
InChIKeyUHBHJNUXLFBHRD-UHFFFAOYSA-N
XLogP3.22
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine?
The IUPAC name of 5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine (CID 137484798) is 5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine?
The canonical SMILES for 5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine is Cc1c(Br)cc2cn[nH]c2c1NC1CCOCC1.
What is the InChIKey of 5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine?
The InChIKey is UHBHJNUXLFBHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-8-11(14)6-9-7-15-17-13(9)12(8)16-10-2-4-18-5-3-10/h6-7,10,16H,2-5H2,1H3,(H,15,17).
What are the key properties of 5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine?
5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine has a molecular weight of 310.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine is sourced from PubChem (CID 137484798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).