1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine

C11H21N5OS — CID 141181340

IUPAC1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine
SMILESCc1nnc(S(=O)CCCN2CCNCC2)n1C
InChIInChI=1S/C11H21N5OS/c1-10-13-14-11(15(10)2)18(17)9-3-6-16-7-4-12-5-8-16/h12H,3-9H2,1-2H3
InChIKeyCGDJOLMVXBUPSK-UHFFFAOYSA-N
MW271.39 g/mol
LogP-0.47
Rot. Bonds5

About 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine

1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine (PubChem CID 141181340) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine.

Molecular Properties

Compound Name1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine
PubChem CID141181340
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine
SMILESCc1nnc(S(=O)CCCN2CCNCC2)n1C
InChIInChI=1S/C11H21N5OS/c1-10-13-14-11(15(10)2)18(17)9-3-6-16-7-4-12-5-8-16/h12H,3-9H2,1-2H3
InChIKeyCGDJOLMVXBUPSK-UHFFFAOYSA-N
XLogP-0.47
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine?
The IUPAC name of 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine (CID 141181340) is 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine.
What is the SMILES notation for 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine?
The canonical SMILES for 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine is Cc1nnc(S(=O)CCCN2CCNCC2)n1C.
What is the InChIKey of 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine?
The InChIKey is CGDJOLMVXBUPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-10-13-14-11(15(10)2)18(17)9-3-6-16-7-4-12-5-8-16/h12H,3-9H2,1-2H3.
What are the key properties of 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine?
1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine has a molecular weight of 271.39 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazine is sourced from PubChem (CID 141181340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).