4-(triazol-1-yl)piperidine

C7H12N4 — CID 19006019

IUPAC4-(triazol-1-yl)piperidine
SMILESc1cn(C2CCNCC2)nn1
InChIInChI=1S/C7H12N4/c1-3-8-4-2-7(1)11-6-5-9-10-11/h5-8H,1-4H2
InChIKeySAYXVILDUZLWGX-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.20
Rot. Bonds1

About 4-(triazol-1-yl)piperidine

4-(triazol-1-yl)piperidine (PubChem CID 19006019) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(triazol-1-yl)piperidine.

Molecular Properties

Compound Name4-(triazol-1-yl)piperidine
PubChem CID19006019
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name4-(triazol-1-yl)piperidine
SMILESc1cn(C2CCNCC2)nn1
InChIInChI=1S/C7H12N4/c1-3-8-4-2-7(1)11-6-5-9-10-11/h5-8H,1-4H2
InChIKeySAYXVILDUZLWGX-UHFFFAOYSA-N
XLogP0.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(triazol-1-yl)piperidine?
The IUPAC name of 4-(triazol-1-yl)piperidine (CID 19006019) is 4-(triazol-1-yl)piperidine.
What is the SMILES notation for 4-(triazol-1-yl)piperidine?
The canonical SMILES for 4-(triazol-1-yl)piperidine is c1cn(C2CCNCC2)nn1.
What is the InChIKey of 4-(triazol-1-yl)piperidine?
The InChIKey is SAYXVILDUZLWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-8-4-2-7(1)11-6-5-9-10-11/h5-8H,1-4H2.
What are the key properties of 4-(triazol-1-yl)piperidine?
4-(triazol-1-yl)piperidine has a molecular weight of 152.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-1-yl)piperidine is sourced from PubChem (CID 19006019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).