3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole

C16H14N6 — CID 22479919

IUPAC3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole
SMILESc1ccc(CCc2[nH]nc3ccc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C16H14N6/c1-2-4-11(5-3-1)6-8-14-13-10-12(16-19-21-22-20-16)7-9-15(13)18-17-14/h1-5,7,9-10H,6,8H2,(H,17,18)(H,19,20,21,22)
InChIKeyAPVAKEVHXQUQCI-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.53
Rot. Bonds4

About 3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole

3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole (PubChem CID 22479919) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole.

Molecular Properties

Compound Name3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole
PubChem CID22479919
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole
SMILESc1ccc(CCc2[nH]nc3ccc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C16H14N6/c1-2-4-11(5-3-1)6-8-14-13-10-12(16-19-21-22-20-16)7-9-15(13)18-17-14/h1-5,7,9-10H,6,8H2,(H,17,18)(H,19,20,21,22)
InChIKeyAPVAKEVHXQUQCI-UHFFFAOYSA-N
XLogP2.53
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole?
The IUPAC name of 3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole (CID 22479919) is 3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole.
What is the SMILES notation for 3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole?
The canonical SMILES for 3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole is c1ccc(CCc2[nH]nc3ccc(-c4nn[nH]n4)cc23)cc1.
What is the InChIKey of 3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole?
The InChIKey is APVAKEVHXQUQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-2-4-11(5-3-1)6-8-14-13-10-12(16-19-21-22-20-16)7-9-15(13)18-17-14/h1-5,7,9-10H,6,8H2,(H,17,18)(H,19,20,21,22).
What are the key properties of 3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole?
3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole has a molecular weight of 290.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-5-(2H-tetrazol-5-yl)-2H-indazole is sourced from PubChem (CID 22479919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).