2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C10H17N5O4S — CID 62399989

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)Cn2cc(CO)nn2)CC1
InChIInChI=1S/C10H17N5O4S/c1-20(18,19)15-4-2-13(3-5-15)10(17)7-14-6-9(8-16)11-12-14/h6,16H,2-5,7-8H2,1H3
InChIKeyYUJWZOVNNIJZIJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP-2.13
Rot. Bonds4

About 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 62399989) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID62399989
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)Cn2cc(CO)nn2)CC1
InChIInChI=1S/C10H17N5O4S/c1-20(18,19)15-4-2-13(3-5-15)10(17)7-14-6-9(8-16)11-12-14/h6,16H,2-5,7-8H2,1H3
InChIKeyYUJWZOVNNIJZIJ-UHFFFAOYSA-N
XLogP-2.13
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-2.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone
CID 75388098
1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone
CID 106221205
2-[4-(2-hydroxyethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 62399432
2-[4-(3-aminopropyl)triazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 106221300
2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride
CID 53312901
[1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493695
2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 55067182
2-amino-3-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735191
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
2-[4-(methylaminomethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 66215849
N'-[[1-[2-(4-tert-butylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]methyl]ethanimidamide
CID 89293473
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 62399989) is 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CS(=O)(=O)N1CCN(C(=O)Cn2cc(CO)nn2)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is YUJWZOVNNIJZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-20(18,19)15-4-2-13(3-5-15)10(17)7-14-6-9(8-16)11-12-14/h6,16H,2-5,7-8H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 303.34 g/mol, XLogP of -2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62399989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).