1-(1H-1,2,4-triazol-5-yl)piperidine

C7H12N4 — CID 69258261

IUPAC1-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1n[nH]c(N2CCCCC2)n1
InChIInChI=1S/C7H12N4/c1-2-4-11(5-3-1)7-8-6-9-10-7/h6H,1-5H2,(H,8,9,10)
InChIKeyCOAPWPLCJMVVNS-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.80
Rot. Bonds1

About 1-(1H-1,2,4-triazol-5-yl)piperidine

1-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 69258261) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID69258261
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1n[nH]c(N2CCCCC2)n1
InChIInChI=1S/C7H12N4/c1-2-4-11(5-3-1)7-8-6-9-10-7/h6H,1-5H2,(H,8,9,10)
InChIKeyCOAPWPLCJMVVNS-UHFFFAOYSA-N
XLogP0.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)piperidine (CID 69258261) is 1-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)piperidine is c1n[nH]c(N2CCCCC2)n1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is COAPWPLCJMVVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-4-11(5-3-1)7-8-6-9-10-7/h6H,1-5H2,(H,8,9,10).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)piperidine?
1-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 152.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 69258261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).