N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C9H13N5OS — CID 110384844

IUPACN,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCN(CC)C(=O)c1nn2c(C)nnc2s1
InChIInChI=1S/C9H13N5OS/c1-4-13(5-2)8(15)7-12-14-6(3)10-11-9(14)16-7/h4-5H2,1-3H3
InChIKeyPYDWUWPGRAQJMT-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.98
Rot. Bonds3

About N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384844) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384844
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC NameN,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCN(CC)C(=O)c1nn2c(C)nnc2s1
InChIInChI=1S/C9H13N5OS/c1-4-13(5-2)8(15)7-12-14-6(3)10-11-9(14)16-7/h4-5H2,1-3H3
InChIKeyPYDWUWPGRAQJMT-UHFFFAOYSA-N
XLogP0.98
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384844) is N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is CCN(CC)C(=O)c1nn2c(C)nnc2s1.
What is the InChIKey of N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is PYDWUWPGRAQJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-4-13(5-2)8(15)7-12-14-6(3)10-11-9(14)16-7/h4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).