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

C9H16N4 — CID 94552936

IUPAC(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1ncnc1[C@H]1CCCNC1
InChIInChI=1S/C9H16N4/c1-2-13-9(11-7-12-13)8-4-3-5-10-6-8/h7-8,10H,2-6H2,1H3/t8-/m0/s1
InChIKeyKONVSFRPAHGGEA-QMMMGPOBSA-N
MW180.25 g/mol
LogP0.76
Rot. Bonds2

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

(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 94552936) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
PubChem CID94552936
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1ncnc1[C@H]1CCCNC1
InChIInChI=1S/C9H16N4/c1-2-13-9(11-7-12-13)8-4-3-5-10-6-8/h7-8,10H,2-6H2,1H3/t8-/m0/s1
InChIKeyKONVSFRPAHGGEA-QMMMGPOBSA-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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Related Compounds

5-cyclobutyl-1-ethyl-1,2,4-triazole
CID 101129673
1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole
CID 84674604
3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 62695306
(2R)-2-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552945
1-benzyl-5-pyrrolidin-3-yl-1,2,4-triazole
CID 84692041
3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
CID 130530013
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
3-(2-ethyltriazol-4-yl)piperidine
CID 10012528
4-ethyl-5-[(3R)-piperidin-3-yl]-2-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-one
CID 95199763
3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
CID 3231623
4-[(2-ethyl-1,2,4-triazol-3-yl)methylidene]piperidine
CID 79880615
(3R)-3-[4-methyl-5-(2-pyrazol-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine
CID 126441913

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine (CID 94552936) is (3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine is CCn1ncnc1[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is KONVSFRPAHGGEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-13-9(11-7-12-13)8-4-3-5-10-6-8/h7-8,10H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine?
(3S)-3-(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 (3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 94552936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).