2,4-bis(triazol-1-yl)piperidine

C9H13N7 — CID 68856246

IUPAC2,4-bis(triazol-1-yl)piperidine
SMILESc1cn(C2CCNC(n3ccnn3)C2)nn1
InChIInChI=1S/C9H13N7/c1-2-10-9(16-6-4-12-14-16)7-8(1)15-5-3-11-13-15/h3-6,8-10H,1-2,7H2
InChIKeyHYZVDRXQHWGANO-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.01
Rot. Bonds2

About 2,4-bis(triazol-1-yl)piperidine

2,4-bis(triazol-1-yl)piperidine (PubChem CID 68856246) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 2,4-bis(triazol-1-yl)piperidine.

Molecular Properties

Compound Name2,4-bis(triazol-1-yl)piperidine
PubChem CID68856246
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name2,4-bis(triazol-1-yl)piperidine
SMILESc1cn(C2CCNC(n3ccnn3)C2)nn1
InChIInChI=1S/C9H13N7/c1-2-10-9(16-6-4-12-14-16)7-8(1)15-5-3-11-13-15/h3-6,8-10H,1-2,7H2
InChIKeyHYZVDRXQHWGANO-UHFFFAOYSA-N
XLogP-0.01
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(triazol-1-yl)piperidine?
The IUPAC name of 2,4-bis(triazol-1-yl)piperidine (CID 68856246) is 2,4-bis(triazol-1-yl)piperidine.
What is the SMILES notation for 2,4-bis(triazol-1-yl)piperidine?
The canonical SMILES for 2,4-bis(triazol-1-yl)piperidine is c1cn(C2CCNC(n3ccnn3)C2)nn1.
What is the InChIKey of 2,4-bis(triazol-1-yl)piperidine?
The InChIKey is HYZVDRXQHWGANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-2-10-9(16-6-4-12-14-16)7-8(1)15-5-3-11-13-15/h3-6,8-10H,1-2,7H2.
What are the key properties of 2,4-bis(triazol-1-yl)piperidine?
2,4-bis(triazol-1-yl)piperidine has a molecular weight of 219.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(triazol-1-yl)piperidine is sourced from PubChem (CID 68856246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).