N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide

C17H17N5OS — CID 665655

IUPACN-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide
SMILESCC1CC(c2ccccc2)n2nc(NC(=O)c3cccs3)nc2N1
InChIInChI=1S/C17H17N5OS/c1-11-10-13(12-6-3-2-4-7-12)22-17(18-11)20-16(21-22)19-15(23)14-8-5-9-24-14/h2-9,11,13H,10H2,1H3,(H2,18,19,20,21,23)
InChIKeyCCINCLDHAAVHKZ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.39
Rot. Bonds3

About N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide

N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide (PubChem CID 665655) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide
PubChem CID665655
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide
SMILESCC1CC(c2ccccc2)n2nc(NC(=O)c3cccs3)nc2N1
InChIInChI=1S/C17H17N5OS/c1-11-10-13(12-6-3-2-4-7-12)22-17(18-11)20-16(21-22)19-15(23)14-8-5-9-24-14/h2-9,11,13H,10H2,1H3,(H2,18,19,20,21,23)
InChIKeyCCINCLDHAAVHKZ-UHFFFAOYSA-N
XLogP3.39
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide (CID 665655) is N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide is CC1CC(c2ccccc2)n2nc(NC(=O)c3cccs3)nc2N1.
What is the InChIKey of N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide?
The InChIKey is CCINCLDHAAVHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-10-13(12-6-3-2-4-7-12)22-17(18-11)20-16(21-22)19-15(23)14-8-5-9-24-14/h2-9,11,13H,10H2,1H3,(H2,18,19,20,21,23).
What are the key properties of N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide?
N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 665655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).