N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine

C15H12BrN3O2 — CID 43731054

IUPACN-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine
SMILESBrc1cc2c(cc1CNc1cccc3cn[nH]c13)OCO2
InChIInChI=1S/C15H12BrN3O2/c16-11-5-14-13(20-8-21-14)4-10(11)6-17-12-3-1-2-9-7-18-19-15(9)12/h1-5,7,17H,6,8H2,(H,18,19)
InChIKeyQVOWHUBEBXSOQH-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.67
Rot. Bonds3

About N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine

N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine (PubChem CID 43731054) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine
PubChem CID43731054
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC NameN-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine
SMILESBrc1cc2c(cc1CNc1cccc3cn[nH]c13)OCO2
InChIInChI=1S/C15H12BrN3O2/c16-11-5-14-13(20-8-21-14)4-10(11)6-17-12-3-1-2-9-7-18-19-15(9)12/h1-5,7,17H,6,8H2,(H,18,19)
InChIKeyQVOWHUBEBXSOQH-UHFFFAOYSA-N
XLogP3.67
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine
CID 43730935
N-[(2-bromophenyl)methyl]-1H-indazol-7-amine
CID 43730933
N-benzyl-1H-indazol-7-amine
CID 43730923
N-[(3-chloro-2-fluorophenyl)methyl]-1H-indazol-7-amine
CID 114487412
N-(1H-indazol-7-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 24653999
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-propan-2-ylaniline
CID 43393522
N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine
CID 43730787
N-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 36575892
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethylsulfanylaniline
CID 63453308
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706525
N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine
CID 43730919
N-(1,3-thiazol-2-ylmethyl)-1H-indazol-7-amine
CID 63657431

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine?
The IUPAC name of N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine (CID 43731054) is N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine?
The canonical SMILES for N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine is Brc1cc2c(cc1CNc1cccc3cn[nH]c13)OCO2.
What is the InChIKey of N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine?
The InChIKey is QVOWHUBEBXSOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-11-5-14-13(20-8-21-14)4-10(11)6-17-12-3-1-2-9-7-18-19-15(9)12/h1-5,7,17H,6,8H2,(H,18,19).
What are the key properties of N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine?
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine has a molecular weight of 346.18 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine is sourced from PubChem (CID 43731054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).