3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole

C16H12N6 — CID 22480024

IUPAC3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESC(=C/c1n[nH]c2ccc(-c3nn[nH]n3)cc12)\c1ccccc1
InChIInChI=1S/C16H12N6/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/h1-10H,(H,17,18)(H,19,20,21,22)/b8-6+
InChIKeyQKDCQFORBNHDDY-SOFGYWHQSA-N
MW288.31 g/mol
LogP2.91
Rot. Bonds3

About 3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole

3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole (PubChem CID 22480024) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole
PubChem CID22480024
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESC(=C/c1n[nH]c2ccc(-c3nn[nH]n3)cc12)\c1ccccc1
InChIInChI=1S/C16H12N6/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/h1-10H,(H,17,18)(H,19,20,21,22)/b8-6+
InChIKeyQKDCQFORBNHDDY-SOFGYWHQSA-N
XLogP2.91
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indazol-3-amine
CID 13399
5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538884
4-(4-aminophenyl)-1H-indazol-3-amine
CID 16125106
5-phenyl-1H-indazol-3-amine
CID 11492186
5-(2-chlorophenyl)-1H-indazol-3-amine
CID 44570390
1-Hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole
CID 71695771
6-Fluoro-3-phenyl-1H-indazole
CID 164611597
3-phenyl-1H-indazole
CID 300385
Bay-H-1127
CID 16736
5-(2,5-difluorophenyl)-3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole
CID 12002717
5-(3-chlorophenyl)-1H-indazol-3-amine
CID 44570391
3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile
CID 46882056

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole?
The IUPAC name of 3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole (CID 22480024) is 3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole is C(=C/c1n[nH]c2ccc(-c3nn[nH]n3)cc12)\c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole?
The InChIKey is QKDCQFORBNHDDY-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H12N6/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/h1-10H,(H,17,18)(H,19,20,21,22)/b8-6+.
What are the key properties of 3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole?
3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole has a molecular weight of 288.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole is sourced from PubChem (CID 22480024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).