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

C9H16N4 — CID 62695870

IUPAC4-(2-ethyl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1ncnc1C1CCNCC1
InChIInChI=1S/C9H16N4/c1-2-13-9(11-7-12-13)8-3-5-10-6-4-8/h7-8,10H,2-6H2,1H3
InChIKeyZXLQXQLKXDGRFL-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.76
Rot. Bonds2

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

4-(2-ethyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 62695870) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(2-ethyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name4-(2-ethyl-1,2,4-triazol-3-yl)piperidine
PubChem CID62695870
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-(2-ethyl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1ncnc1C1CCNCC1
InChIInChI=1S/C9H16N4/c1-2-13-9(11-7-12-13)8-3-5-10-6-4-8/h7-8,10H,2-6H2,1H3
InChIKeyZXLQXQLKXDGRFL-UHFFFAOYSA-N
XLogP0.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.76
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)piperidine?
The IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)piperidine (CID 62695870) is 4-(2-ethyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 4-(2-ethyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 4-(2-ethyl-1,2,4-triazol-3-yl)piperidine is CCn1ncnc1C1CCNCC1.
What is the InChIKey of 4-(2-ethyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is ZXLQXQLKXDGRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-13-9(11-7-12-13)8-3-5-10-6-4-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-(2-ethyl-1,2,4-triazol-3-yl)piperidine?
4-(2-ethyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.76, 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)piperidine is sourced from PubChem (CID 62695870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).