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

C13H21N7 — CID 97195843

IUPAC(3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine
SMILESCCn1cnnc1CCn1cc([C@H]2CCCNC2)nn1
InChIInChI=1S/C13H21N7/c1-2-19-10-15-17-13(19)5-7-20-9-12(16-18-20)11-4-3-6-14-8-11/h9-11,14H,2-8H2,1H3/t11-/m0/s1
InChIKeyHSVCTWASUFHSOG-NSHDSACASA-N
MW275.36 g/mol
LogP0.60
Rot. Bonds5

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

(3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine (PubChem CID 97195843) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is (3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine
PubChem CID97195843
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name(3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine
SMILESCCn1cnnc1CCn1cc([C@H]2CCCNC2)nn1
InChIInChI=1S/C13H21N7/c1-2-19-10-15-17-13(19)5-7-20-9-12(16-18-20)11-4-3-6-14-8-11/h9-11,14H,2-8H2,1H3/t11-/m0/s1
InChIKeyHSVCTWASUFHSOG-NSHDSACASA-N
XLogP0.60
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine
CID 72877858
3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole
CID 97116970
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
3-(4-butyl-1,2,4-triazol-3-yl)piperidine
CID 82470594
4-chloro-N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]benzenesulfonamide
CID 72861214
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710142
3-[2-[4-[(3S)-piperidin-3-yl]triazol-1-yl]ethyl]-2H-phthalazine-1,4-dione
CID 97195182
3-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]-2H-phthalazine-1,4-dione;hydrochloride
CID 154900018
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
CID 94554646
3-(2-ethyltriazol-4-yl)piperidine
CID 10012528
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 106303568
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
CID 62710906

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine?
The IUPAC name of (3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine (CID 97195843) is (3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine.
What is the SMILES notation for (3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine?
The canonical SMILES for (3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine is CCn1cnnc1CCn1cc([C@H]2CCCNC2)nn1.
What is the InChIKey of (3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine?
The InChIKey is HSVCTWASUFHSOG-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N7/c1-2-19-10-15-17-13(19)5-7-20-9-12(16-18-20)11-4-3-6-14-8-11/h9-11,14H,2-8H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine?
(3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine has a molecular weight of 275.36 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine is sourced from PubChem (CID 97195843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).