(5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

C19H25N5O3S — CID 56572067

IUPAC(5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2nnn(-c3ccccc3)c2C2CC2)CC1
InChIInChI=1S/C19H25N5O3S/c1-28(26,27)14-13-22-9-11-23(12-10-22)19(25)17-18(15-7-8-15)24(21-20-17)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyMXHLOWKABZYHGF-UHFFFAOYSA-N
MW403.51 g/mol
LogP0.95
Rot. Bonds6

About (5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

(5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (PubChem CID 56572067) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is (5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
PubChem CID56572067
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name(5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2nnn(-c3ccccc3)c2C2CC2)CC1
InChIInChI=1S/C19H25N5O3S/c1-28(26,27)14-13-22-9-11-23(12-10-22)19(25)17-18(15-7-8-15)24(21-20-17)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyMXHLOWKABZYHGF-UHFFFAOYSA-N
XLogP0.95
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-cyclopropyl-1-phenyltriazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 75428023
[1-(4-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572095
[5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 86874602
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
(2-iodophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753470
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110281141
[1-(4-bromophenyl)-5-cyclopropyltriazol-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56519274
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72903607
1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 95753443
5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid
CID 43325185
(4-methylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94448657
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (CID 56572067) is (5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is CS(=O)(=O)CCN1CCN(C(=O)c2nnn(-c3ccccc3)c2C2CC2)CC1.
What is the InChIKey of (5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The InChIKey is MXHLOWKABZYHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-28(26,27)14-13-22-9-11-23(12-10-22)19(25)17-18(15-7-8-15)24(21-20-17)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3.
What are the key properties of (5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
(5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone has a molecular weight of 403.51 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-phenyltriazol-4-yl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56572067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).