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

C18H17N5 — CID 53320263

IUPAC5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole
SMILESc1ccc(CCCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1
InChIInChI=1S/C18H17N5/c1-2-5-14(6-3-1)7-4-8-16-13-23(22-20-16)17-9-10-18-15(11-17)12-19-21-18/h1-3,5-6,9-13H,4,7-8H2,(H,19,21)
InChIKeyDCBGVRDAEOIKPQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.32
Rot. Bonds5

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

5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole (PubChem CID 53320263) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole.

Molecular Properties

Compound Name5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole
PubChem CID53320263
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole
SMILESc1ccc(CCCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1
InChIInChI=1S/C18H17N5/c1-2-5-14(6-3-1)7-4-8-16-13-23(22-20-16)17-9-10-18-15(11-17)12-19-21-18/h1-3,5-6,9-13H,4,7-8H2,(H,19,21)
InChIKeyDCBGVRDAEOIKPQ-UHFFFAOYSA-N
XLogP3.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole?
The IUPAC name of 5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole (CID 53320263) is 5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole.
What is the SMILES notation for 5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole?
The canonical SMILES for 5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole is c1ccc(CCCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1.
What is the InChIKey of 5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole?
The InChIKey is DCBGVRDAEOIKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-2-5-14(6-3-1)7-4-8-16-13-23(22-20-16)17-9-10-18-15(11-17)12-19-21-18/h1-3,5-6,9-13H,4,7-8H2,(H,19,21).
What are the key properties of 5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole?
5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole has a molecular weight of 303.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-phenylpropyl)triazol-1-yl]-1H-indazole is sourced from PubChem (CID 53320263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).