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

C13H21N5OS — CID 110385562

IUPAC3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCc1nn2c(C)nnc2s1
InChIInChI=1S/C13H21N5OS/c1-4-8-17(9-5-2)12(19)7-6-11-16-18-10(3)14-15-13(18)20-11/h4-9H2,1-3H3
InChIKeyKTNCVUFAKATZHQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.08
Rot. Bonds7

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

3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide (PubChem CID 110385562) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide
PubChem CID110385562
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCc1nn2c(C)nnc2s1
InChIInChI=1S/C13H21N5OS/c1-4-8-17(9-5-2)12(19)7-6-11-16-18-10(3)14-15-13(18)20-11/h4-9H2,1-3H3
InChIKeyKTNCVUFAKATZHQ-UHFFFAOYSA-N
XLogP2.08
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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,N-dipropylpropanamide?
The IUPAC name of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide (CID 110385562) is 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCc1nn2c(C)nnc2s1.
What is the InChIKey of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide?
The InChIKey is KTNCVUFAKATZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-4-8-17(9-5-2)12(19)7-6-11-16-18-10(3)14-15-13(18)20-11/h4-9H2,1-3H3.
What are the key properties of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide?
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide has a molecular weight of 295.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 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,N-dipropylpropanamide is sourced from PubChem (CID 110385562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).