3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide

C10H7ClN6OS — CID 59014098

IUPAC3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide
SMILESNC(=O)c1sccc1Nc1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H7ClN6OS/c11-6-3-7(17-10(16-6)13-4-14-17)15-5-1-2-19-8(5)9(12)18/h1-4,15H,(H2,12,18)
InChIKeyJOSBXDSXCKRGIO-UHFFFAOYSA-N
MW294.73 g/mol
LogP1.68
Rot. Bonds3

About 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide

3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide (PubChem CID 59014098) has the molecular formula C10H7ClN6OS and a molecular weight of 294.73 g/mol. Its IUPAC name is 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide
PubChem CID59014098
Molecular FormulaC10H7ClN6OS
Molecular Weight294.73 g/mol
Exact Mass294.01
IUPAC Name3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide
SMILESNC(=O)c1sccc1Nc1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H7ClN6OS/c11-6-3-7(17-10(16-6)13-4-14-17)15-5-1-2-19-8(5)9(12)18/h1-4,15H,(H2,12,18)
InChIKeyJOSBXDSXCKRGIO-UHFFFAOYSA-N
XLogP1.68
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide (CID 59014098) is 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide is NC(=O)c1sccc1Nc1cc(Cl)nc2ncnn12.
What is the InChIKey of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide?
The InChIKey is JOSBXDSXCKRGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6OS/c11-6-3-7(17-10(16-6)13-4-14-17)15-5-1-2-19-8(5)9(12)18/h1-4,15H,(H2,12,18).
What are the key properties of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide?
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide has a molecular weight of 294.73 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 59014098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).