3-(1H-1,2,4-triazol-5-yl)piperidine

C7H12N4 — CID 57004215

IUPAC3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1n[nH]c(C2CCCNC2)n1
InChIInChI=1S/C7H12N4/c1-2-6(4-8-3-1)7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKeyIZHAMQUVVWJULL-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.27
Rot. Bonds1

About 3-(1H-1,2,4-triazol-5-yl)piperidine

3-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 57004215) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID57004215
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1n[nH]c(C2CCCNC2)n1
InChIInChI=1S/C7H12N4/c1-2-6(4-8-3-1)7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKeyIZHAMQUVVWJULL-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-2-yl)piperidine
CID 13281195
5-(oxan-3-yl)-1H-1,2,4-triazole
CID 172992337
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
2-(1H-1,2,4-triazol-5-yl)piperidine
CID 61361223
3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine
CID 84660806
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 93256100
1-piperidin-4-yl-4-(1H-1,2,4-triazol-5-yl)piperidine;hydrochloride
CID 135347545
2-piperidin-3-ylpyrimidin-5-ol
CID 117231651
(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride
CID 170900819
3-[3-(trichloromethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569188
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
CID 43650978

Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 3-(1H-1,2,4-triazol-5-yl)piperidine (CID 57004215) is 3-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-yl)piperidine is c1n[nH]c(C2CCCNC2)n1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is IZHAMQUVVWJULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-6(4-8-3-1)7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11).
What are the key properties of 3-(1H-1,2,4-triazol-5-yl)piperidine?
3-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 152.20 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 57004215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).