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

C9H11N5OS — CID 110385606

IUPACN-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESO=C(CCc1nn2cnnc2s1)NC1CC1
InChIInChI=1S/C9H11N5OS/c15-7(11-6-1-2-6)3-4-8-13-14-5-10-12-9(14)16-8/h5-6H,1-4H2,(H,11,15)
InChIKeyJSHJIWYRGBNTDU-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.40
Rot. Bonds4

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

N-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385606) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385606
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC NameN-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESO=C(CCc1nn2cnnc2s1)NC1CC1
InChIInChI=1S/C9H11N5OS/c15-7(11-6-1-2-6)3-4-8-13-14-5-10-12-9(14)16-8/h5-6H,1-4H2,(H,11,15)
InChIKeyJSHJIWYRGBNTDU-UHFFFAOYSA-N
XLogP0.40
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385606) is N-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is O=C(CCc1nn2cnnc2s1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is JSHJIWYRGBNTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c15-7(11-6-1-2-6)3-4-8-13-14-5-10-12-9(14)16-8/h5-6H,1-4H2,(H,11,15).
What are the key properties of N-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 237.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).