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

C8H12N4 — CID 141119210

IUPAC2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine
SMILESC(=C1CCCCN1)c1ncn[nH]1
InChIInChI=1S/C8H12N4/c1-2-4-9-7(3-1)5-8-10-6-11-12-8/h5-6,9H,1-4H2,(H,10,11,12)
InChIKeyZBPOCPNKMPBRDX-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.92
Rot. Bonds1

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

2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine (PubChem CID 141119210) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine
PubChem CID141119210
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine
SMILESC(=C1CCCCN1)c1ncn[nH]1
InChIInChI=1S/C8H12N4/c1-2-4-9-7(3-1)5-8-10-6-11-12-8/h5-6,9H,1-4H2,(H,10,11,12)
InChIKeyZBPOCPNKMPBRDX-UHFFFAOYSA-N
XLogP0.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine (CID 141119210) is 2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine is C(=C1CCCCN1)c1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine?
The InChIKey is ZBPOCPNKMPBRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-2-4-9-7(3-1)5-8-10-6-11-12-8/h5-6,9H,1-4H2,(H,10,11,12).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine?
2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine has a molecular weight of 164.21 g/mol, XLogP of 0.92, 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-ylmethylidene)piperidine is sourced from PubChem (CID 141119210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).