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

C14H14N6OS — CID 110401255

IUPACN-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1nn2c(C3CC3)nnc2s1)c1ccncc1
InChIInChI=1S/C14H14N6OS/c21-13(10-3-6-15-7-4-10)16-8-5-11-19-20-12(9-1-2-9)17-18-14(20)22-11/h3-4,6-7,9H,1-2,5,8H2,(H,16,21)
InChIKeyUVBVHUCDBPAHSP-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.43
Rot. Bonds5

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

N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide (PubChem CID 110401255) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
PubChem CID110401255
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC NameN-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1nn2c(C3CC3)nnc2s1)c1ccncc1
InChIInChI=1S/C14H14N6OS/c21-13(10-3-6-15-7-4-10)16-8-5-11-19-20-12(9-1-2-9)17-18-14(20)22-11/h3-4,6-7,9H,1-2,5,8H2,(H,16,21)
InChIKeyUVBVHUCDBPAHSP-UHFFFAOYSA-N
XLogP1.43
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3,4-difluorobenzamide
CID 110401260
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3,4-dimethoxybenzamide
CID 110401232
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]furan-2-carboxamide
CID 110401210
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide
CID 110401207
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide
CID 110401241
N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-3,4-dimethylbenzamide
CID 110401364
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110401282
3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385380
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 110385833
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 110401308
4-fluoro-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110400882
2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide
CID 110401373

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide (CID 110401255) is N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide is O=C(NCCc1nn2c(C3CC3)nnc2s1)c1ccncc1.
What is the InChIKey of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is UVBVHUCDBPAHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-13(10-3-6-15-7-4-10)16-8-5-11-19-20-12(9-1-2-9)17-18-14(20)22-11/h3-4,6-7,9H,1-2,5,8H2,(H,16,21).
What are the key properties of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide?
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110401255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).