3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole

C16H11N7 — CID 135418209

IUPAC3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole
SMILESc1ccc2[nH]c(-c3n[nH]c4cc(-c5nn[nH]n5)ccc34)cc2c1
InChIInChI=1S/C16H11N7/c1-2-4-12-9(3-1)7-14(17-12)15-11-6-5-10(8-13(11)18-19-15)16-20-22-23-21-16/h1-8,17H,(H,18,19)(H,20,21,22,23)
InChIKeyDYNFZWUFHJDQNP-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.89
Rot. Bonds2

About 3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole

3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole (PubChem CID 135418209) has the molecular formula C16H11N7 and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole
PubChem CID135418209
Molecular FormulaC16H11N7
Molecular Weight301.31 g/mol
Exact Mass301.11
IUPAC Name3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole
SMILESc1ccc2[nH]c(-c3n[nH]c4cc(-c5nn[nH]n5)ccc34)cc2c1
InChIInChI=1S/C16H11N7/c1-2-4-12-9(3-1)7-14(17-12)15-11-6-5-10(8-13(11)18-19-15)16-20-22-23-21-16/h1-8,17H,(H,18,19)(H,20,21,22,23)
InChIKeyDYNFZWUFHJDQNP-UHFFFAOYSA-N
XLogP2.89
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole?
The IUPAC name of 3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole (CID 135418209) is 3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole is c1ccc2[nH]c(-c3n[nH]c4cc(-c5nn[nH]n5)ccc34)cc2c1.
What is the InChIKey of 3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole?
The InChIKey is DYNFZWUFHJDQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7/c1-2-4-12-9(3-1)7-14(17-12)15-11-6-5-10(8-13(11)18-19-15)16-20-22-23-21-16/h1-8,17H,(H,18,19)(H,20,21,22,23).
What are the key properties of 3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole?
3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole has a molecular weight of 301.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-6-(2H-tetrazol-5-yl)-1H-indazole is sourced from PubChem (CID 135418209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).