N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C10H8N6OS — CID 110384609

IUPACN-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(NCc1ccccn1)c1nn2cnnc2s1
InChIInChI=1S/C10H8N6OS/c17-8(12-5-7-3-1-2-4-11-7)9-15-16-6-13-14-10(16)18-9/h1-4,6H,5H2,(H,12,17)
InChIKeyDOGNSAIBFFWFQG-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.51
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384609) has the molecular formula C10H8N6OS and a molecular weight of 260.28 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384609
Molecular FormulaC10H8N6OS
Molecular Weight260.28 g/mol
Exact Mass260.05
IUPAC NameN-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(NCc1ccccn1)c1nn2cnnc2s1
InChIInChI=1S/C10H8N6OS/c17-8(12-5-7-3-1-2-4-11-7)9-15-16-6-13-14-10(16)18-9/h1-4,6H,5H2,(H,12,17)
InChIKeyDOGNSAIBFFWFQG-UHFFFAOYSA-N
XLogP0.51
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 134796077
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 3676320
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518344
2-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401681
5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 175367392
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
5-[(3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 140762820

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384609) is N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is O=C(NCc1ccccn1)c1nn2cnnc2s1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is DOGNSAIBFFWFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6OS/c17-8(12-5-7-3-1-2-4-11-7)9-15-16-6-13-14-10(16)18-9/h1-4,6H,5H2,(H,12,17).
What are the key properties of N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 260.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).