5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole

C17H15N5 — CID 51346827

IUPAC5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole
SMILESc1ccc(CCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1
InChIInChI=1S/C17H15N5/c1-2-4-13(5-3-1)6-7-15-12-22(21-19-15)16-8-9-17-14(10-16)11-18-20-17/h1-5,8-12H,6-7H2,(H,18,20)
InChIKeyVFGWASLDLFTQPZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.93
Rot. Bonds4

About 5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole

5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole (PubChem CID 51346827) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole.

Molecular Properties

Compound Name5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole
PubChem CID51346827
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole
SMILESc1ccc(CCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1
InChIInChI=1S/C17H15N5/c1-2-4-13(5-3-1)6-7-15-12-22(21-19-15)16-8-9-17-14(10-16)11-18-20-17/h1-5,8-12H,6-7H2,(H,18,20)
InChIKeyVFGWASLDLFTQPZ-UHFFFAOYSA-N
XLogP2.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole?
The IUPAC name of 5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole (CID 51346827) is 5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole.
What is the SMILES notation for 5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole?
The canonical SMILES for 5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole is c1ccc(CCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1.
What is the InChIKey of 5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole?
The InChIKey is VFGWASLDLFTQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-4-13(5-3-1)6-7-15-12-22(21-19-15)16-8-9-17-14(10-16)11-18-20-17/h1-5,8-12H,6-7H2,(H,18,20).
What are the key properties of 5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole?
5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole has a molecular weight of 289.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-phenylethyl)triazol-1-yl]-1H-indazole is sourced from PubChem (CID 51346827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).