N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine

C12H9Br2N3O — CID 62084497

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine
SMILESBrc1cc(CNc2cccc3[nH]ncc23)oc1Br
InChIInChI=1S/C12H9Br2N3O/c13-9-4-7(18-12(9)14)5-15-10-2-1-3-11-8(10)6-16-17-11/h1-4,6,15H,5H2,(H,16,17)
InChIKeyGLSRCUAHDNDKIF-UHFFFAOYSA-N
MW371.03 g/mol
LogP4.29
Rot. Bonds3

About N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine

N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine (PubChem CID 62084497) has the molecular formula C12H9Br2N3O and a molecular weight of 371.03 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine
PubChem CID62084497
Molecular FormulaC12H9Br2N3O
Molecular Weight371.03 g/mol
Exact Mass368.91
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine
SMILESBrc1cc(CNc2cccc3[nH]ncc23)oc1Br
InChIInChI=1S/C12H9Br2N3O/c13-9-4-7(18-12(9)14)5-15-10-2-1-3-11-8(10)6-16-17-11/h1-4,6,15H,5H2,(H,16,17)
InChIKeyGLSRCUAHDNDKIF-UHFFFAOYSA-N
XLogP4.29
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.03
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine
CID 54865678
5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid
CID 104608704
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine
CID 60932500
N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine
CID 54865712
N-(thiadiazol-4-ylmethyl)-1H-indazol-4-amine
CID 60931620
N-(1H-indol-3-ylmethyl)-1H-indazol-4-amine
CID 62325226
2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine
CID 62086085
3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
CID 63421913
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905
N-(1H-indol-5-ylmethyl)-1H-indazol-4-amine
CID 102910187
N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine
CID 60931499
2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol
CID 112606607

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine (CID 62084497) is N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine is Brc1cc(CNc2cccc3[nH]ncc23)oc1Br.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine?
The InChIKey is GLSRCUAHDNDKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O/c13-9-4-7(18-12(9)14)5-15-10-2-1-3-11-8(10)6-16-17-11/h1-4,6,15H,5H2,(H,16,17).
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine?
N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine has a molecular weight of 371.03 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine is sourced from PubChem (CID 62084497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).