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

C9H13N5OS — CID 110385604

IUPACN-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCCCNC(=O)CCc1nn2cnnc2s1
InChIInChI=1S/C9H13N5OS/c1-2-5-10-7(15)3-4-8-13-14-6-11-12-9(14)16-8/h6H,2-5H2,1H3,(H,10,15)
InChIKeyORXCNLNACYQDLL-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.64
Rot. Bonds5

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

N-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385604) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is N-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385604
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC NameN-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCCCNC(=O)CCc1nn2cnnc2s1
InChIInChI=1S/C9H13N5OS/c1-2-5-10-7(15)3-4-8-13-14-6-11-12-9(14)16-8/h6H,2-5H2,1H3,(H,10,15)
InChIKeyORXCNLNACYQDLL-UHFFFAOYSA-N
XLogP0.64
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385604) is N-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is CCCNC(=O)CCc1nn2cnnc2s1.
What is the InChIKey of N-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is ORXCNLNACYQDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-2-5-10-7(15)3-4-8-13-14-6-11-12-9(14)16-8/h6H,2-5H2,1H3,(H,10,15).
What are the key properties of N-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 239.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).