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

C7H12N4 — CID 61361223

IUPAC2-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1n[nH]c(C2CCCCN2)n1
InChIInChI=1S/C7H12N4/c1-2-4-8-6(3-1)7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKeyRONDMOYIJWDSEP-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.62
Rot. Bonds1

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

2-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 61361223) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID61361223
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name2-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1n[nH]c(C2CCCCN2)n1
InChIInChI=1S/C7H12N4/c1-2-4-8-6(3-1)7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKeyRONDMOYIJWDSEP-UHFFFAOYSA-N
XLogP0.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-1,2,4-triazol-5-yl)piperidine
CID 57004215
(3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 104911664
(3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 104912637
(5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 104911665
5-(oxan-2-yl)-1H-1,2,4-triazole
CID 91376030
4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride
CID 71299989
5-piperidin-2-ylpyrimidin-2-amine
CID 82409904
2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine
CID 99727825
2-[5-[(2S)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine
CID 99727824
2-(5-tert-butyl-1H-imidazol-2-yl)azepane
CID 64570176
5-piperidin-2-yl-1,2-oxazol-4-amine
CID 115093519
5-methyl-2-piperidin-2-ylpyrimidine
CID 63317257

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)piperidine (CID 61361223) is 2-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)piperidine is c1n[nH]c(C2CCCCN2)n1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is RONDMOYIJWDSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-4-8-6(3-1)7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)piperidine?
2-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 152.20 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 61361223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).