4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine

C14H22N6O2S — CID 72891880

IUPAC4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine
SMILESCc1nccn1Cc1nnc(C2CCN(S(C)(=O)=O)CC2)n1C
InChIInChI=1S/C14H22N6O2S/c1-11-15-6-9-19(11)10-13-16-17-14(18(13)2)12-4-7-20(8-5-12)23(3,21)22/h6,9,12H,4-5,7-8,10H2,1-3H3
InChIKeyYWFGBXMSFFYWDH-UHFFFAOYSA-N
MW338.44 g/mol
LogP0.51
Rot. Bonds4

About 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine

4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine (PubChem CID 72891880) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine
PubChem CID72891880
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC Name4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine
SMILESCc1nccn1Cc1nnc(C2CCN(S(C)(=O)=O)CC2)n1C
InChIInChI=1S/C14H22N6O2S/c1-11-15-6-9-19(11)10-13-16-17-14(18(13)2)12-4-7-20(8-5-12)23(3,21)22/h6,9,12H,4-5,7-8,10H2,1-3H3
InChIKeyYWFGBXMSFFYWDH-UHFFFAOYSA-N
XLogP0.51
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine with MolForge

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Related Compounds

methyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70738536
3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-(isopropylsulfonyl)piperidine
CID 72860784
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-[3-(methylthio)propyl]piperidine
CID 72874958
1-(2,2-dimethylpropyl)-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72905756
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2,2-dimethylpropyl)piperidine
CID 72912276
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(methylsulfonyl)piperidine
CID 72931938
6-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739258
1-(cyclopropylsulfonyl)-3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72891752
4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-(methylsulfonyl)piperidine
CID 70714240
1-(cyclobutylmethyl)-3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72927968
4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 91908949
3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 91911872

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine (CID 72891880) is 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine is Cc1nccn1Cc1nnc(C2CCN(S(C)(=O)=O)CC2)n1C.
What is the InChIKey of 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine?
The InChIKey is YWFGBXMSFFYWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-11-15-6-9-19(11)10-13-16-17-14(18(13)2)12-4-7-20(8-5-12)23(3,21)22/h6,9,12H,4-5,7-8,10H2,1-3H3.
What are the key properties of 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine?
4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine has a molecular weight of 338.44 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 72891880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).