5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole

C22H17N5 — CID 25165084

IUPAC5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole
SMILESc1ccc(Cn2nnc(-c3ccc4[nH]ncc4c3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H17N5/c1-3-7-16(8-4-1)15-27-22(17-9-5-2-6-10-17)21(25-26-27)18-11-12-20-19(13-18)14-23-24-20/h1-14H,15H2,(H,23,24)
InChIKeyIOYGZJJCJBOPDM-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.54
Rot. Bonds4

About 5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole

5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole (PubChem CID 25165084) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole
PubChem CID25165084
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole
SMILESc1ccc(Cn2nnc(-c3ccc4[nH]ncc4c3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H17N5/c1-3-7-16(8-4-1)15-27-22(17-9-5-2-6-10-17)21(25-26-27)18-11-12-20-19(13-18)14-23-24-20/h1-14H,15H2,(H,23,24)
InChIKeyIOYGZJJCJBOPDM-UHFFFAOYSA-N
XLogP4.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole?
The IUPAC name of 5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole (CID 25165084) is 5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole.
What is the SMILES notation for 5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole?
The canonical SMILES for 5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole is c1ccc(Cn2nnc(-c3ccc4[nH]ncc4c3)c2-c2ccccc2)cc1.
What is the InChIKey of 5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole?
The InChIKey is IOYGZJJCJBOPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-3-7-16(8-4-1)15-27-22(17-9-5-2-6-10-17)21(25-26-27)18-11-12-20-19(13-18)14-23-24-20/h1-14H,15H2,(H,23,24).
What are the key properties of 5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole?
5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole has a molecular weight of 351.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole is sourced from PubChem (CID 25165084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).