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

C16H14N6O2 — CID 22479801

IUPAC3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESCOc1ccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cc1OC
InChIInChI=1S/C16H14N6O2/c1-23-13-6-4-9(8-14(13)24-2)15-11-7-10(16-19-21-22-20-16)3-5-12(11)17-18-15/h3-8H,1-2H3,(H,17,18)(H,19,20,21,22)
InChIKeySRCNJHPCZIXPHF-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.43
Rot. Bonds4

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

3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole (PubChem CID 22479801) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole
PubChem CID22479801
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESCOc1ccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cc1OC
InChIInChI=1S/C16H14N6O2/c1-23-13-6-4-9(8-14(13)24-2)15-11-7-10(16-19-21-22-20-16)3-5-12(11)17-18-15/h3-8H,1-2H3,(H,17,18)(H,19,20,21,22)
InChIKeySRCNJHPCZIXPHF-UHFFFAOYSA-N
XLogP2.43
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole (CID 22479801) is 3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole is COc1ccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The InChIKey is SRCNJHPCZIXPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-23-13-6-4-9(8-14(13)24-2)15-11-7-10(16-19-21-22-20-16)3-5-12(11)17-18-15/h3-8H,1-2H3,(H,17,18)(H,19,20,21,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole?
3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole has a molecular weight of 322.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(2H-tetrazol-5-yl)-1H-indazole is sourced from PubChem (CID 22479801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).