(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone

C9H12N6OS — CID 82511808

IUPAC(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone
SMILESCc1nnc2sc(C(=O)N3CCNCC3)nn12
InChIInChI=1S/C9H12N6OS/c1-6-11-12-9-15(6)13-7(17-9)8(16)14-4-2-10-3-5-14/h10H,2-5H2,1H3
InChIKeyDXLFGIKKRKLVTO-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.46
Rot. Bonds1

About (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone

(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone (PubChem CID 82511808) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone
PubChem CID82511808
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone
SMILESCc1nnc2sc(C(=O)N3CCNCC3)nn12
InChIInChI=1S/C9H12N6OS/c1-6-11-12-9-15(6)13-7(17-9)8(16)14-4-2-10-3-5-14/h10H,2-5H2,1H3
InChIKeyDXLFGIKKRKLVTO-UHFFFAOYSA-N
XLogP-0.46
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone?
The IUPAC name of (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone (CID 82511808) is (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone is Cc1nnc2sc(C(=O)N3CCNCC3)nn12.
What is the InChIKey of (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone?
The InChIKey is DXLFGIKKRKLVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-6-11-12-9-15(6)13-7(17-9)8(16)14-4-2-10-3-5-14/h10H,2-5H2,1H3.
What are the key properties of (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone?
(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone has a molecular weight of 252.30 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82511808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).