4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine

C13H18N10 — CID 70773810

IUPAC4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine
SMILESCC(c1nn[nH]n1)n1ccnc1-c1cn(C2CCNCC2)nn1
InChIInChI=1S/C13H18N10/c1-9(12-17-19-20-18-12)22-7-6-15-13(22)11-8-23(21-16-11)10-2-4-14-5-3-10/h6-10,14H,2-5H2,1H3,(H,17,18,19,20)
InChIKeyKCIFQXRZJJYXDW-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.19
Rot. Bonds4

About 4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine

4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine (PubChem CID 70773810) has the molecular formula C13H18N10 and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine
PubChem CID70773810
Molecular FormulaC13H18N10
Molecular Weight314.36 g/mol
Exact Mass314.17
IUPAC Name4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine
SMILESCC(c1nn[nH]n1)n1ccnc1-c1cn(C2CCNCC2)nn1
InChIInChI=1S/C13H18N10/c1-9(12-17-19-20-18-12)22-7-6-15-13(22)11-8-23(21-16-11)10-2-4-14-5-3-10/h6-10,14H,2-5H2,1H3,(H,17,18,19,20)
InChIKeyKCIFQXRZJJYXDW-UHFFFAOYSA-N
XLogP0.19
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine?
The IUPAC name of 4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine (CID 70773810) is 4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine?
The canonical SMILES for 4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine is CC(c1nn[nH]n1)n1ccnc1-c1cn(C2CCNCC2)nn1.
What is the InChIKey of 4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine?
The InChIKey is KCIFQXRZJJYXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N10/c1-9(12-17-19-20-18-12)22-7-6-15-13(22)11-8-23(21-16-11)10-2-4-14-5-3-10/h6-10,14H,2-5H2,1H3,(H,17,18,19,20).
What are the key properties of 4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine?
4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine has a molecular weight of 314.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[1-(2H-tetrazol-5-yl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine is sourced from PubChem (CID 70773810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).