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

C12H10BrN3O — CID 54865678

IUPACN-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine
SMILESBrc1ccc(CNc2cccc3[nH]ncc23)o1
InChIInChI=1S/C12H10BrN3O/c13-12-5-4-8(17-12)6-14-10-2-1-3-11-9(10)7-15-16-11/h1-5,7,14H,6H2,(H,15,16)
InChIKeySJCASIIMDHAVPZ-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.53
Rot. Bonds3

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

N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine (PubChem CID 54865678) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine
PubChem CID54865678
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine
SMILESBrc1ccc(CNc2cccc3[nH]ncc23)o1
InChIInChI=1S/C12H10BrN3O/c13-12-5-4-8(17-12)6-14-10-2-1-3-11-9(10)7-15-16-11/h1-5,7,14H,6H2,(H,15,16)
InChIKeySJCASIIMDHAVPZ-UHFFFAOYSA-N
XLogP3.53
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine (CID 54865678) is N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine is Brc1ccc(CNc2cccc3[nH]ncc23)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine?
The InChIKey is SJCASIIMDHAVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-12-5-4-8(17-12)6-14-10-2-1-3-11-9(10)7-15-16-11/h1-5,7,14H,6H2,(H,15,16).
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine?
N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine has a molecular weight of 292.14 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine is sourced from PubChem (CID 54865678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).