3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide

C12H12N6OS — CID 110675483

IUPAC3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide
SMILESCc1nnc2sc(CCC(=O)Nc3ccccn3)nn12
InChIInChI=1S/C12H12N6OS/c1-8-15-16-12-18(8)17-11(20-12)6-5-10(19)14-9-4-2-3-7-13-9/h2-4,7H,5-6H2,1H3,(H,13,14,19)
InChIKeyMQFXXPUAZOWAFM-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.46
Rot. Bonds4

About 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide

3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide (PubChem CID 110675483) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide
PubChem CID110675483
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide
SMILESCc1nnc2sc(CCC(=O)Nc3ccccn3)nn12
InChIInChI=1S/C12H12N6OS/c1-8-15-16-12-18(8)17-11(20-12)6-5-10(19)14-9-4-2-3-7-13-9/h2-4,7H,5-6H2,1H3,(H,13,14,19)
InChIKeyMQFXXPUAZOWAFM-UHFFFAOYSA-N
XLogP1.46
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385567
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110665201
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110425993
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110614633
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110408494
N-(4,4-dimethylpentyl)-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110421690
N-(3-methoxypropyl)-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385533
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110426430
N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110386071
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide
CID 110385893
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide (CID 110675483) is 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide is Cc1nnc2sc(CCC(=O)Nc3ccccn3)nn12.
What is the InChIKey of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is MQFXXPUAZOWAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c1-8-15-16-12-18(8)17-11(20-12)6-5-10(19)14-9-4-2-3-7-13-9/h2-4,7H,5-6H2,1H3,(H,13,14,19).
What are the key properties of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide?
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 288.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 110675483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).