4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine

C10H16N4 — CID 79880615

IUPAC4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine
SMILESCCn1ncnc1C=C1CCNCC1
InChIInChI=1S/C10H16N4/c1-2-14-10(12-8-13-14)7-9-3-5-11-6-4-9/h7-8,11H,2-6H2,1H3
InChIKeyJMTQXRIYRBOQQO-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.06
Rot. Bonds2

About 4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine

4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine (PubChem CID 79880615) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine.

Molecular Properties

Compound Name4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine
PubChem CID79880615
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine
SMILESCCn1ncnc1C=C1CCNCC1
InChIInChI=1S/C10H16N4/c1-2-14-10(12-8-13-14)7-9-3-5-11-6-4-9/h7-8,11H,2-6H2,1H3
InChIKeyJMTQXRIYRBOQQO-UHFFFAOYSA-N
XLogP1.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine?
The IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine (CID 79880615) is 4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine.
What is the SMILES notation for 4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine?
The canonical SMILES for 4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine is CCn1ncnc1C=C1CCNCC1.
What is the InChIKey of 4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine?
The InChIKey is JMTQXRIYRBOQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-14-10(12-8-13-14)7-9-3-5-11-6-4-9/h7-8,11H,2-6H2,1H3.
What are the key properties of 4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine?
4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine has a molecular weight of 192.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine is sourced from PubChem (CID 79880615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).