3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole

C13H9N7 — CID 22480244

IUPAC3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESc1cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)ccn1
InChIInChI=1S/C13H9N7/c1-2-11-10(7-9(1)13-17-19-20-18-13)12(16-15-11)8-3-5-14-6-4-8/h1-7H,(H,15,16)(H,17,18,19,20)
InChIKeyVNSPHNKBANVWRF-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.80
Rot. Bonds2

About 3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole

3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole (PubChem CID 22480244) has the molecular formula C13H9N7 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole
PubChem CID22480244
Molecular FormulaC13H9N7
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC Name3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESc1cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)ccn1
InChIInChI=1S/C13H9N7/c1-2-11-10(7-9(1)13-17-19-20-18-13)12(16-15-11)8-3-5-14-6-4-8/h1-7H,(H,15,16)(H,17,18,19,20)
InChIKeyVNSPHNKBANVWRF-UHFFFAOYSA-N
XLogP1.80
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole?
The IUPAC name of 3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole (CID 22480244) is 3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole?
The canonical SMILES for 3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole is c1cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)ccn1.
What is the InChIKey of 3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole?
The InChIKey is VNSPHNKBANVWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7/c1-2-11-10(7-9(1)13-17-19-20-18-13)12(16-15-11)8-3-5-14-6-4-8/h1-7H,(H,15,16)(H,17,18,19,20).
What are the key properties of 3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole?
3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole has a molecular weight of 263.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole is sourced from PubChem (CID 22480244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).