2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone

C15H17N7O3S — CID 90592285

IUPAC2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
SMILESCn1cnnc1S(=O)(=O)C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C15H17N7O3S/c1-21-9-16-19-15(21)26(24,25)11-4-6-22(7-5-11)14(23)10-2-3-12-13(8-10)18-20-17-12/h2-3,8-9,11H,4-7H2,1H3,(H,17,18,20)
InChIKeyLIEUVPRTMUQFQB-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.16
Rot. Bonds3

About 2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone

2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone (PubChem CID 90592285) has the molecular formula C15H17N7O3S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
PubChem CID90592285
Molecular FormulaC15H17N7O3S
Molecular Weight375.41 g/mol
Exact Mass375.11
IUPAC Name2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
SMILESCn1cnnc1S(=O)(=O)C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C15H17N7O3S/c1-21-9-16-19-15(21)26(24,25)11-4-6-22(7-5-11)14(23)10-2-3-12-13(8-10)18-20-17-12/h2-3,8-9,11H,4-7H2,1H3,(H,17,18,20)
InChIKeyLIEUVPRTMUQFQB-UHFFFAOYSA-N
XLogP0.16
TPSA126.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-iodophenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592361
1H-indol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592273
[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 90592105
(6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592250
(3,4-diethoxyphenyl)-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]azetidin-1-yl]methanone
CID 91814490
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592247
1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592330
2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone
CID 90592311
2H-benzotriazol-5-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371858
2-(3-methylphenoxy)-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone
CID 90592138
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
3-(2,4-dimethoxyphenyl)-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]propan-1-one
CID 90592217

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone (CID 90592285) is 2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone is Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1.
What is the InChIKey of 2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone?
The InChIKey is LIEUVPRTMUQFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3S/c1-21-9-16-19-15(21)26(24,25)11-4-6-22(7-5-11)14(23)10-2-3-12-13(8-10)18-20-17-12/h2-3,8-9,11H,4-7H2,1H3,(H,17,18,20).
What are the key properties of 2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone?
2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone has a molecular weight of 375.41 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90592285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).