1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine

C12H16N6O2S — CID 120876698

IUPAC1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESCn1nncc1S(=O)(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C12H16N6O2S/c1-17-12(9-15-16-17)21(19,20)18-6-5-14-8-11(18)10-3-2-4-13-7-10/h2-4,7,9,11,14H,5-6,8H2,1H3
InChIKeyCPLJASZIVQJXFP-UHFFFAOYSA-N
MW308.37 g/mol
LogP-0.45
Rot. Bonds3

About 1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine

1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine (PubChem CID 120876698) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine
PubChem CID120876698
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESCn1nncc1S(=O)(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C12H16N6O2S/c1-17-12(9-15-16-17)21(19,20)18-6-5-14-8-11(18)10-3-2-4-13-7-10/h2-4,7,9,11,14H,5-6,8H2,1H3
InChIKeyCPLJASZIVQJXFP-UHFFFAOYSA-N
XLogP-0.45
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550
3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride
CID 120876701
1-(2-bromo-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764349
1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
CID 120876708

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine (CID 120876698) is 1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine is Cn1nncc1S(=O)(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine?
The InChIKey is CPLJASZIVQJXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-17-12(9-15-16-17)21(19,20)18-6-5-14-8-11(18)10-3-2-4-13-7-10/h2-4,7,9,11,14H,5-6,8H2,1H3.
What are the key properties of 1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine?
1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine has a molecular weight of 308.37 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120876698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).