(2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

C14H22N6 — CID 129492200

IUPAC(2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc([C@@H]2CCCCN2CCc2ccnn2C)n[nH]1
InChIInChI=1S/C14H22N6/c1-11-16-14(18-17-11)13-5-3-4-9-20(13)10-7-12-6-8-15-19(12)2/h6,8,13H,3-5,7,9-10H2,1-2H3,(H,16,17,18)/t13-/m0/s1
InChIKeySDVWAUFRSWWSTD-ZDUSSCGKSA-N
MW274.37 g/mol
LogP1.62
Rot. Bonds4

About (2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

(2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 129492200) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is (2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID129492200
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name(2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc([C@@H]2CCCCN2CCc2ccnn2C)n[nH]1
InChIInChI=1S/C14H22N6/c1-11-16-14(18-17-11)13-5-3-4-9-20(13)10-7-12-6-8-15-19(12)2/h6,8,13H,3-5,7,9-10H2,1-2H3,(H,16,17,18)/t13-/m0/s1
InChIKeySDVWAUFRSWWSTD-ZDUSSCGKSA-N
XLogP1.62
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 154756104
2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine
CID 129492248
2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015231
2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 128969620
(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 129492253
5-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 125014658
3-[1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 77098303
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 103024217
3-[1-[[5-(2-chlorophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74245671
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
CID 103002715
3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one
CID 129492206
4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole
CID 77095137

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (CID 129492200) is (2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is Cc1nc([C@@H]2CCCCN2CCc2ccnn2C)n[nH]1.
What is the InChIKey of (2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is SDVWAUFRSWWSTD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N6/c1-11-16-14(18-17-11)13-5-3-4-9-20(13)10-7-12-6-8-15-19(12)2/h6,8,13H,3-5,7,9-10H2,1-2H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of (2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
(2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 274.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 129492200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).