3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

C17H13N5 — CID 22479742

IUPAC3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESC(=C/c1n[nH]c2ccc(-c3ncn[nH]3)cc12)\c1ccccc1
InChIInChI=1S/C17H13N5/c1-2-4-12(5-3-1)6-8-15-14-10-13(17-18-11-19-22-17)7-9-16(14)21-20-15/h1-11H,(H,20,21)(H,18,19,22)/b8-6+
InChIKeyAWSIRHGFNFYPFL-SOFGYWHQSA-N
MW287.33 g/mol
LogP3.52
Rot. Bonds3

About 3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (PubChem CID 22479742) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
PubChem CID22479742
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESC(=C/c1n[nH]c2ccc(-c3ncn[nH]3)cc12)\c1ccccc1
InChIInChI=1S/C17H13N5/c1-2-4-12(5-3-1)6-8-15-14-10-13(17-18-11-19-22-17)7-9-16(14)21-20-15/h1-11H,(H,20,21)(H,18,19,22)/b8-6+
InChIKeyAWSIRHGFNFYPFL-SOFGYWHQSA-N
XLogP3.52
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The IUPAC name of 3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (CID 22479742) is 3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is C(=C/c1n[nH]c2ccc(-c3ncn[nH]3)cc12)\c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The InChIKey is AWSIRHGFNFYPFL-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H13N5/c1-2-4-12(5-3-1)6-8-15-14-10-13(17-18-11-19-22-17)7-9-16(14)21-20-15/h1-11H,(H,20,21)(H,18,19,22)/b8-6+.
What are the key properties of 3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole has a molecular weight of 287.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is sourced from PubChem (CID 22479742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).