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

C9H16N4 — CID 94552945

IUPAC(2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1ncnc1[C@H]1CCCCN1
InChIInChI=1S/C9H16N4/c1-2-13-9(11-7-12-13)8-5-3-4-6-10-8/h7-8,10H,2-6H2,1H3/t8-/m1/s1
InChIKeyJWNAUBRDDQJNHW-MRVPVSSYSA-N
MW180.25 g/mol
LogP1.11
Rot. Bonds2

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

(2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 94552945) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine
PubChem CID94552945
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1ncnc1[C@H]1CCCCN1
InChIInChI=1S/C9H16N4/c1-2-13-9(11-7-12-13)8-5-3-4-6-10-8/h7-8,10H,2-6H2,1H3/t8-/m1/s1
InChIKeyJWNAUBRDDQJNHW-MRVPVSSYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936
2-(4-chloro-1-ethylpyrazol-5-yl)azepane
CID 114663189
4-bromo-1-ethyl-5-pyrrolidin-2-ylpyrazole
CID 114663184
(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 94552646
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
CID 130530013
1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole
CID 42576240
2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine
CID 62721773
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
1-ethyl-3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 99978633
6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682003
5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole
CID 60784120

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine (CID 94552945) is (2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine is CCn1ncnc1[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is JWNAUBRDDQJNHW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-13-9(11-7-12-13)8-5-3-4-6-10-8/h7-8,10H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine?
(2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 94552945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).