3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one

C14H19N5OS — CID 110385811

IUPAC3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCc1nn2c(C3CC3)nnc2s1)N1CCCCC1
InChIInChI=1S/C14H19N5OS/c20-12(18-8-2-1-3-9-18)7-6-11-17-19-13(10-4-5-10)15-16-14(19)21-11/h10H,1-9H2
InChIKeyNFARHRBDYSEDHQ-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.01
Rot. Bonds4

About 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one

3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 110385811) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID110385811
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCc1nn2c(C3CC3)nnc2s1)N1CCCCC1
InChIInChI=1S/C14H19N5OS/c20-12(18-8-2-1-3-9-18)7-6-11-17-19-13(10-4-5-10)15-16-14(19)21-11/h10H,1-9H2
InChIKeyNFARHRBDYSEDHQ-UHFFFAOYSA-N
XLogP2.01
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentanoic acid
CID 114352770
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 110385943
4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354481
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355495
5-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanoic acid
CID 114352683
ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate
CID 110675476
6-(chloromethyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355979
3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanoic acid
CID 114352633
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide
CID 110401207
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 110385853
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110613833
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide
CID 110385893

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one (CID 110385811) is 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one is O=C(CCc1nn2c(C3CC3)nnc2s1)N1CCCCC1.
What is the InChIKey of 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is NFARHRBDYSEDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c20-12(18-8-2-1-3-9-18)7-6-11-17-19-13(10-4-5-10)15-16-14(19)21-11/h10H,1-9H2.
What are the key properties of 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one?
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 305.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 110385811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).