3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole

C12H8N6O — CID 22480144

IUPAC3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESc1coc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C12H8N6O/c1-2-10(19-5-1)11-8-6-7(12-15-17-18-16-12)3-4-9(8)13-14-11/h1-6H,(H,13,14)(H,15,16,17,18)
InChIKeyIOWFMMGSUZKPFB-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.00
Rot. Bonds2

About 3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole

3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole (PubChem CID 22480144) has the molecular formula C12H8N6O and a molecular weight of 252.24 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole
PubChem CID22480144
Molecular FormulaC12H8N6O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESc1coc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C12H8N6O/c1-2-10(19-5-1)11-8-6-7(12-15-17-18-16-12)3-4-9(8)13-14-11/h1-6H,(H,13,14)(H,15,16,17,18)
InChIKeyIOWFMMGSUZKPFB-UHFFFAOYSA-N
XLogP2.00
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The IUPAC name of 3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole (CID 22480144) is 3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole is c1coc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1.
What is the InChIKey of 3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The InChIKey is IOWFMMGSUZKPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O/c1-2-10(19-5-1)11-8-6-7(12-15-17-18-16-12)3-4-9(8)13-14-11/h1-6H,(H,13,14)(H,15,16,17,18).
What are the key properties of 3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole?
3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole has a molecular weight of 252.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole is sourced from PubChem (CID 22480144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).