5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole

C17H15N5 — CID 25166053

IUPAC5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole
SMILESCc1cccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1
InChIInChI=1S/C17H15N5/c1-12-3-2-4-13(7-12)10-22-11-17(20-21-22)14-5-6-16-15(8-14)9-18-19-16/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyAZRBHUUEXRGWFH-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.18
Rot. Bonds3

About 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole

5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole (PubChem CID 25166053) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole
PubChem CID25166053
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole
SMILESCc1cccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1
InChIInChI=1S/C17H15N5/c1-12-3-2-4-13(7-12)10-22-11-17(20-21-22)14-5-6-16-15(8-14)9-18-19-16/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyAZRBHUUEXRGWFH-UHFFFAOYSA-N
XLogP3.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole?
The IUPAC name of 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole (CID 25166053) is 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole?
The canonical SMILES for 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole is Cc1cccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1.
What is the InChIKey of 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole?
The InChIKey is AZRBHUUEXRGWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-12-3-2-4-13(7-12)10-22-11-17(20-21-22)14-5-6-16-15(8-14)9-18-19-16/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole?
5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole has a molecular weight of 289.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole is sourced from PubChem (CID 25166053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).