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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4-Fluorophenyl)(1h-indazol-5-yl)]-5-(pyrrolidinylmethyl)-1h-1,2,4-triazole
CID 10021535
3-(4-aminophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905259
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 71529249
N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 134191938
3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine
CID 135222842
3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
CID 164609137
3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
CID 164610783
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
CID 164611880
3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
CID 164612602
N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]ethanesulfonamide
CID 164614319
3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
CID 164614632
5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole
CID 164616157

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).