5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole

C18H17N5 — CID 25166655

IUPAC5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole
SMILESCc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c(C)c1
InChIInChI=1S/C18H17N5/c1-12-3-4-15(13(2)7-12)10-23-11-18(21-22-23)14-5-6-17-16(8-14)9-19-20-17/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyOPOGDZANLATWGS-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.49
Rot. Bonds3

About 5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole

5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole (PubChem CID 25166655) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole
PubChem CID25166655
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole
SMILESCc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c(C)c1
InChIInChI=1S/C18H17N5/c1-12-3-4-15(13(2)7-12)10-23-11-18(21-22-23)14-5-6-17-16(8-14)9-19-20-17/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyOPOGDZANLATWGS-UHFFFAOYSA-N
XLogP3.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole?
The IUPAC name of 5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole (CID 25166655) is 5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole?
The canonical SMILES for 5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole is Cc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c(C)c1.
What is the InChIKey of 5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole?
The InChIKey is OPOGDZANLATWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-12-3-4-15(13(2)7-12)10-23-11-18(21-22-23)14-5-6-17-16(8-14)9-19-20-17/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole?
5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole has a molecular weight of 303.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,4-dimethylphenyl)methyl]triazol-4-yl]-1H-indazole is sourced from PubChem (CID 25166655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).