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

C18H15N5O — CID 20789031

IUPAC3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESCOc1ccc(/C=C/c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1
InChIInChI=1S/C18H15N5O/c1-24-14-6-2-12(3-7-14)4-8-16-15-10-13(18-19-11-20-23-18)5-9-17(15)22-21-16/h2-11H,1H3,(H,21,22)(H,19,20,23)/b8-4+
InChIKeyYJJRBPBFXHASCP-XBXARRHUSA-N
MW317.35 g/mol
LogP3.53
Rot. Bonds4

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

3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (PubChem CID 20789031) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
PubChem CID20789031
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESCOc1ccc(/C=C/c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1
InChIInChI=1S/C18H15N5O/c1-24-14-6-2-12(3-7-14)4-8-16-15-10-13(18-19-11-20-23-18)5-9-17(15)22-21-16/h2-11H,1H3,(H,21,22)(H,19,20,23)/b8-4+
InChIKeyYJJRBPBFXHASCP-XBXARRHUSA-N
XLogP3.53
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (CID 20789031) is 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The canonical SMILES for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is COc1ccc(/C=C/c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1.
What is the InChIKey of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The InChIKey is YJJRBPBFXHASCP-XBXARRHUSA-N. The full InChI is InChI=1S/C18H15N5O/c1-24-14-6-2-12(3-7-14)4-8-16-15-10-13(18-19-11-20-23-18)5-9-17(15)22-21-16/h2-11H,1H3,(H,21,22)(H,19,20,23)/b8-4+.
What are the key properties of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole has a molecular weight of 317.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is sourced from PubChem (CID 20789031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).