2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one

C16H23N5O3S — CID 121117767

IUPAC2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one
SMILESCC(C)n1c(C2CCCN(S(=O)(=O)c3cccnc3)C2)nn(C)c1=O
InChIInChI=1S/C16H23N5O3S/c1-12(2)21-15(18-19(3)16(21)22)13-6-5-9-20(11-13)25(23,24)14-7-4-8-17-10-14/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3
InChIKeyDUYBJCPQYXDGBM-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.13
Rot. Bonds4

About 2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one

2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one (PubChem CID 121117767) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one
PubChem CID121117767
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one
SMILESCC(C)n1c(C2CCCN(S(=O)(=O)c3cccnc3)C2)nn(C)c1=O
InChIInChI=1S/C16H23N5O3S/c1-12(2)21-15(18-19(3)16(21)22)13-6-5-9-20(11-13)25(23,24)14-7-4-8-17-10-14/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3
InChIKeyDUYBJCPQYXDGBM-UHFFFAOYSA-N
XLogP1.13
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one with MolForge

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Related Compounds

5-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 121117790
5-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 121117772
5-[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 121117794
1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole
CID 91947112
3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine
CID 125024782
5-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 121117810
4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one
CID 121117389
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
3-(3-isocyanatopiperidin-1-yl)sulfonylpyridine
CID 24706355
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one?
The IUPAC name of 2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one (CID 121117767) is 2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one.
What is the SMILES notation for 2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one?
The canonical SMILES for 2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one is CC(C)n1c(C2CCCN(S(=O)(=O)c3cccnc3)C2)nn(C)c1=O.
What is the InChIKey of 2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one?
The InChIKey is DUYBJCPQYXDGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-12(2)21-15(18-19(3)16(21)22)13-6-5-9-20(11-13)25(23,24)14-7-4-8-17-10-14/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one?
2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one has a molecular weight of 365.46 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one is sourced from PubChem (CID 121117767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).