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

C8H14N4 — CID 47002731

IUPAC4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCNCC2)n[nH]1
InChIInChI=1S/C8H14N4/c1-6-10-8(12-11-6)7-2-4-9-5-3-7/h7,9H,2-5H2,1H3,(H,10,11,12)
InChIKeyDVYSYRXOUIBQJG-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.58
Rot. Bonds1

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

4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 47002731) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID47002731
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCNCC2)n[nH]1
InChIInChI=1S/C8H14N4/c1-6-10-8(12-11-6)7-2-4-9-5-3-7/h7,9H,2-5H2,1H3,(H,10,11,12)
InChIKeyDVYSYRXOUIBQJG-UHFFFAOYSA-N
XLogP0.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (CID 47002731) is 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is Cc1nc(C2CCNCC2)n[nH]1.
What is the InChIKey of 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is DVYSYRXOUIBQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6-10-8(12-11-6)7-2-4-9-5-3-7/h7,9H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 166.23 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 47002731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).