2,3-bis(triazol-2-yl)piperidine

C9H13N7 — CID 118295176

IUPAC2,3-bis(triazol-2-yl)piperidine
SMILESc1cnn(C2CCCNC2n2nccn2)n1
InChIInChI=1S/C9H13N7/c1-2-8(15-11-4-5-12-15)9(10-3-1)16-13-6-7-14-16/h4-10H,1-3H2
InChIKeyJDGOCACMSNFSDQ-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.01
Rot. Bonds2

About 2,3-bis(triazol-2-yl)piperidine

2,3-bis(triazol-2-yl)piperidine (PubChem CID 118295176) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 2,3-bis(triazol-2-yl)piperidine.

Molecular Properties

Compound Name2,3-bis(triazol-2-yl)piperidine
PubChem CID118295176
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name2,3-bis(triazol-2-yl)piperidine
SMILESc1cnn(C2CCCNC2n2nccn2)n1
InChIInChI=1S/C9H13N7/c1-2-8(15-11-4-5-12-15)9(10-3-1)16-13-6-7-14-16/h4-10H,1-3H2
InChIKeyJDGOCACMSNFSDQ-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 2,3-bis(triazol-2-yl)piperidine?
The IUPAC name of 2,3-bis(triazol-2-yl)piperidine (CID 118295176) is 2,3-bis(triazol-2-yl)piperidine.
What is the SMILES notation for 2,3-bis(triazol-2-yl)piperidine?
The canonical SMILES for 2,3-bis(triazol-2-yl)piperidine is c1cnn(C2CCCNC2n2nccn2)n1.
What is the InChIKey of 2,3-bis(triazol-2-yl)piperidine?
The InChIKey is JDGOCACMSNFSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-2-8(15-11-4-5-12-15)9(10-3-1)16-13-6-7-14-16/h4-10H,1-3H2.
What are the key properties of 2,3-bis(triazol-2-yl)piperidine?
2,3-bis(triazol-2-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 2,3-bis(triazol-2-yl)piperidine is sourced from PubChem (CID 118295176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).