4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one

C15H25N5O4S — CID 56717465

IUPAC4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCN(C(=O)C3CCCN3S(C)(=O)=O)CC2)n[nH]c1=O
InChIInChI=1S/C15H25N5O4S/c1-3-19-13(16-17-15(19)22)11-6-9-18(10-7-11)14(21)12-5-4-8-20(12)25(2,23)24/h11-12H,3-10H2,1-2H3,(H,17,22)
InChIKeyVZBNXRCMUVNYBK-UHFFFAOYSA-N
MW371.46 g/mol
LogP-0.28
Rot. Bonds4

About 4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one

4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one (PubChem CID 56717465) has the molecular formula C15H25N5O4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
PubChem CID56717465
Molecular FormulaC15H25N5O4S
Molecular Weight371.46 g/mol
Exact Mass371.16
IUPAC Name4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCN(C(=O)C3CCCN3S(C)(=O)=O)CC2)n[nH]c1=O
InChIInChI=1S/C15H25N5O4S/c1-3-19-13(16-17-15(19)22)11-6-9-18(10-7-11)14(21)12-5-4-8-20(12)25(2,23)24/h11-12H,3-10H2,1-2H3,(H,17,22)
InChIKeyVZBNXRCMUVNYBK-UHFFFAOYSA-N
XLogP-0.28
TPSA108.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

4-methyl-3-(1-(methylsulfonyl)piperidin-4-yl)-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-1H-1,2,4-triazol-5(4H)-one
CID 30864444
2-({4-[(4-ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
CID 56719422
(2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 95223552
(2R)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 95223553
N-(2-(4-(4-cyclopentyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-2-oxoethyl)-N-methylmethanesulfonamide
CID 121115033

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one (CID 56717465) is 4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one is CCn1c(C2CCN(C(=O)C3CCCN3S(C)(=O)=O)CC2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is VZBNXRCMUVNYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O4S/c1-3-19-13(16-17-15(19)22)11-6-9-18(10-7-11)14(21)12-5-4-8-20(12)25(2,23)24/h11-12H,3-10H2,1-2H3,(H,17,22).
What are the key properties of 4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 371.46 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 56717465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).