N-(1-benzofuran-7-yl)-1H-indazol-3-amine

C15H11N3O — CID 166128468

IUPACN-(1-benzofuran-7-yl)-1H-indazol-3-amine
SMILESc1cc(Nc2n[nH]c3ccccc23)c2occc2c1
InChIInChI=1S/C15H11N3O/c1-2-6-12-11(5-1)15(18-17-12)16-13-7-3-4-10-8-9-19-14(10)13/h1-9H,(H2,16,17,18)
InChIKeyDGCCLGKCDAWIKF-UHFFFAOYSA-N
MW249.27 g/mol
LogP4.05
Rot. Bonds2

About N-(1-benzofuran-7-yl)-1H-indazol-3-amine

N-(1-benzofuran-7-yl)-1H-indazol-3-amine (PubChem CID 166128468) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(1-benzofuran-7-yl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(1-benzofuran-7-yl)-1H-indazol-3-amine
PubChem CID166128468
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC NameN-(1-benzofuran-7-yl)-1H-indazol-3-amine
SMILESc1cc(Nc2n[nH]c3ccccc23)c2occc2c1
InChIInChI=1S/C15H11N3O/c1-2-6-12-11(5-1)15(18-17-12)16-13-7-3-4-10-8-9-19-14(10)13/h1-9H,(H2,16,17,18)
InChIKeyDGCCLGKCDAWIKF-UHFFFAOYSA-N
XLogP4.05
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-7-yl)-1H-indazol-3-amine?
The IUPAC name of N-(1-benzofuran-7-yl)-1H-indazol-3-amine (CID 166128468) is N-(1-benzofuran-7-yl)-1H-indazol-3-amine.
What is the SMILES notation for N-(1-benzofuran-7-yl)-1H-indazol-3-amine?
The canonical SMILES for N-(1-benzofuran-7-yl)-1H-indazol-3-amine is c1cc(Nc2n[nH]c3ccccc23)c2occc2c1.
What is the InChIKey of N-(1-benzofuran-7-yl)-1H-indazol-3-amine?
The InChIKey is DGCCLGKCDAWIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-2-6-12-11(5-1)15(18-17-12)16-13-7-3-4-10-8-9-19-14(10)13/h1-9H,(H2,16,17,18).
What are the key properties of N-(1-benzofuran-7-yl)-1H-indazol-3-amine?
N-(1-benzofuran-7-yl)-1H-indazol-3-amine has a molecular weight of 249.27 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-7-yl)-1H-indazol-3-amine is sourced from PubChem (CID 166128468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).