(4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone

C9H12N6OS — CID 110384590

IUPAC(4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
SMILESCN1CCN(C(=O)c2nn3cnnc3s2)CC1
InChIInChI=1S/C9H12N6OS/c1-13-2-4-14(5-3-13)8(16)7-12-15-6-10-11-9(15)17-7/h6H,2-5H2,1H3
InChIKeySIRJBAIQDDMOGT-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.43
Rot. Bonds1

About (4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone

(4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone (PubChem CID 110384590) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
PubChem CID110384590
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name(4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
SMILESCN1CCN(C(=O)c2nn3cnnc3s2)CC1
InChIInChI=1S/C9H12N6OS/c1-13-2-4-14(5-3-13)8(16)7-12-15-6-10-11-9(15)17-7/h6H,2-5H2,1H3
InChIKeySIRJBAIQDDMOGT-UHFFFAOYSA-N
XLogP-0.43
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 80614899
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80618423
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849857
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
[8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 134800603
azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
CID 110384860
N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384620
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone (CID 110384590) is (4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone is CN1CCN(C(=O)c2nn3cnnc3s2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The InChIKey is SIRJBAIQDDMOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-13-2-4-14(5-3-13)8(16)7-12-15-6-10-11-9(15)17-7/h6H,2-5H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
(4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone has a molecular weight of 252.30 g/mol, XLogP of -0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone is sourced from PubChem (CID 110384590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).