4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine

C15H17N7 — CID 56650736

IUPAC4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine
SMILESc1ccc(-c2n[nH]c(-c3cn(C4CCNCC4)nn3)n2)cc1
InChIInChI=1S/C15H17N7/c1-2-4-11(5-3-1)14-17-15(20-19-14)13-10-22(21-18-13)12-6-8-16-9-7-12/h1-5,10,12,16H,6-9H2,(H,17,19,20)
InChIKeyWMUYNOFBCNEANO-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.65
Rot. Bonds3

About 4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine

4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine (PubChem CID 56650736) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine
PubChem CID56650736
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine
SMILESc1ccc(-c2n[nH]c(-c3cn(C4CCNCC4)nn3)n2)cc1
InChIInChI=1S/C15H17N7/c1-2-4-11(5-3-1)14-17-15(20-19-14)13-10-22(21-18-13)12-6-8-16-9-7-12/h1-5,10,12,16H,6-9H2,(H,17,19,20)
InChIKeyWMUYNOFBCNEANO-UHFFFAOYSA-N
XLogP1.65
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine?
The IUPAC name of 4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine (CID 56650736) is 4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine?
The canonical SMILES for 4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine is c1ccc(-c2n[nH]c(-c3cn(C4CCNCC4)nn3)n2)cc1.
What is the InChIKey of 4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine?
The InChIKey is WMUYNOFBCNEANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-2-4-11(5-3-1)14-17-15(20-19-14)13-10-22(21-18-13)12-6-8-16-9-7-12/h1-5,10,12,16H,6-9H2,(H,17,19,20).
What are the key properties of 4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine?
4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine has a molecular weight of 295.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)triazol-1-yl]piperidine is sourced from PubChem (CID 56650736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).