4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine

C8H8BrN3O — CID 162341963

IUPAC4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine
SMILES[2H]C([2H])([2H])Oc1ccc(Br)c2c(N)n[nH]c12
InChIInChI=1S/C8H8BrN3O/c1-13-5-3-2-4(9)6-7(5)11-12-8(6)10/h2-3H,1H3,(H3,10,11,12)/i1D3
InChIKeyWWLZPCVQPRQQFI-FIBGUPNXSA-N
MW245.09 g/mol
LogP1.92
Rot. Bonds2

About 4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine

4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine (PubChem CID 162341963) has the molecular formula C8H8BrN3O and a molecular weight of 245.09 g/mol. Its IUPAC name is 4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine.

Molecular Properties

Compound Name4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine
PubChem CID162341963
Molecular FormulaC8H8BrN3O
Molecular Weight245.09 g/mol
Exact Mass244.00
IUPAC Name4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine
SMILES[2H]C([2H])([2H])Oc1ccc(Br)c2c(N)n[nH]c12
InChIInChI=1S/C8H8BrN3O/c1-13-5-3-2-4(9)6-7(5)11-12-8(6)10/h2-3H,1H3,(H3,10,11,12)/i1D3
InChIKeyWWLZPCVQPRQQFI-FIBGUPNXSA-N
XLogP1.92
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dibromo-7-methoxy-2H-indazole
CID 114589251
5-bromo-8-methoxy-2-methylquinolin-4-amine
CID 62196790
(4-bromo-7-methoxy-1H-indol-3-yl)methanamine
CID 83901052
5-bromo-6-methoxy-1H-indazol-3-amine
CID 155294306
4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
CID 42639134
5-bromo-8-methoxy-2-propylquinolin-4-amine
CID 55211682
8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 54967458
5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117453081
7-bromo-4-methoxy-2,3-dimethyl-1H-indole
CID 130049908
5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 63109398
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
5-chloro-2-(trideuteriomethoxy)aniline
CID 87073671

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine?
The IUPAC name of 4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine (CID 162341963) is 4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine.
What is the SMILES notation for 4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine?
The canonical SMILES for 4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine is [2H]C([2H])([2H])Oc1ccc(Br)c2c(N)n[nH]c12.
What is the InChIKey of 4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine?
The InChIKey is WWLZPCVQPRQQFI-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H8BrN3O/c1-13-5-3-2-4(9)6-7(5)11-12-8(6)10/h2-3H,1H3,(H3,10,11,12)/i1D3.
What are the key properties of 4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine?
4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine has a molecular weight of 245.09 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-(trideuteriomethoxy)-1H-indazol-3-amine is sourced from PubChem (CID 162341963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).