N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C10H15N5OS — CID 110384657

IUPACN,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCCN(CCC)C(=O)c1nn2cnnc2s1
InChIInChI=1S/C10H15N5OS/c1-3-5-14(6-4-2)9(16)8-13-15-7-11-12-10(15)17-8/h7H,3-6H2,1-2H3
InChIKeyCJRYXQPOYPBHFT-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.45
Rot. Bonds5

About N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384657) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384657
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCCN(CCC)C(=O)c1nn2cnnc2s1
InChIInChI=1S/C10H15N5OS/c1-3-5-14(6-4-2)9(16)8-13-15-7-11-12-10(15)17-8/h7H,3-6H2,1-2H3
InChIKeyCJRYXQPOYPBHFT-UHFFFAOYSA-N
XLogP1.45
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385046
N,N-dipropyl-2-(1,3,4-thiadiazol-2-yl)acetamide
CID 54181109
N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384844
5-amino-1-methyl-N,N-dipropylpyrazole-3-carboxamide
CID 82188767
5-chloro-N,N-dihexyl-1,3,4-thiadiazole-2-carboxamide
CID 80618640
N,N-dipropyl-1,2-thiazole-5-carboxamide
CID 110692163
N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385034
N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80625347
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
N,N-dipropyl-1,3-oxazole-4-carboxamide
CID 110689534
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide
CID 110391117

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384657) is N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is CCCN(CCC)C(=O)c1nn2cnnc2s1.
What is the InChIKey of N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is CJRYXQPOYPBHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-3-5-14(6-4-2)9(16)8-13-15-7-11-12-10(15)17-8/h7H,3-6H2,1-2H3.
What are the key properties of N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).