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

C15H12N6O — CID 22479840

IUPAC3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESCOc1ccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C15H12N6O/c1-22-11-5-2-9(3-6-11)14-12-8-10(15-18-20-21-19-15)4-7-13(12)16-17-14/h2-8H,1H3,(H,16,17)(H,18,19,20,21)
InChIKeyXBUOKXAJAVOMNS-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.42
Rot. Bonds3

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

3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole (PubChem CID 22479840) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole
PubChem CID22479840
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESCOc1ccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C15H12N6O/c1-22-11-5-2-9(3-6-11)14-12-8-10(15-18-20-21-19-15)4-7-13(12)16-17-14/h2-8H,1H3,(H,16,17)(H,18,19,20,21)
InChIKeyXBUOKXAJAVOMNS-UHFFFAOYSA-N
XLogP2.42
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole (CID 22479840) is 3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole is COc1ccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The InChIKey is XBUOKXAJAVOMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c1-22-11-5-2-9(3-6-11)14-12-8-10(15-18-20-21-19-15)4-7-13(12)16-17-14/h2-8H,1H3,(H,16,17)(H,18,19,20,21).
What are the key properties of 3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole?
3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole has a molecular weight of 292.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole is sourced from PubChem (CID 22479840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).