1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide

C10H19N7O3S — CID 63572290

IUPAC1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
SMILESCS(=O)(=O)N1CCN(CCn2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C10H19N7O3S/c1-21(19,20)17-6-3-15(4-7-17)2-5-16-8-9(13-14-16)10(18)12-11/h8H,2-7,11H2,1H3,(H,12,18)
InChIKeyOEQAYNRWDWFIKB-UHFFFAOYSA-N
MW317.38 g/mol
LogP-2.54
Rot. Bonds5

About 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide

1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide (PubChem CID 63572290) has the molecular formula C10H19N7O3S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
PubChem CID63572290
Molecular FormulaC10H19N7O3S
Molecular Weight317.38 g/mol
Exact Mass317.13
IUPAC Name1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
SMILESCS(=O)(=O)N1CCN(CCn2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C10H19N7O3S/c1-21(19,20)17-6-3-15(4-7-17)2-5-16-8-9(13-14-16)10(18)12-11/h8H,2-7,11H2,1H3,(H,12,18)
InChIKeyOEQAYNRWDWFIKB-UHFFFAOYSA-N
XLogP-2.54
TPSA126.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 5-2.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
CID 55214791
2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 63579535
1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63573572
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide
CID 79920562
1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide
CID 79164963
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide
CID 79859256
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide
CID 63583913
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]triazole-4-carbohydrazide
CID 65322216
methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxylate
CID 103107571
1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63579377
5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide (CID 63572290) is 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide is CS(=O)(=O)N1CCN(CCn2cc(C(=O)NN)nn2)CC1.
What is the InChIKey of 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide?
The InChIKey is OEQAYNRWDWFIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7O3S/c1-21(19,20)17-6-3-15(4-7-17)2-5-16-8-9(13-14-16)10(18)12-11/h8H,2-7,11H2,1H3,(H,12,18).
What are the key properties of 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide?
1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide has a molecular weight of 317.38 g/mol, XLogP of -2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63572290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).