N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H15N7OS — CID 2564268

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCc1nnc(NC(=O)c2nc3nccc(C)n3n2)s1
InChIInChI=1S/C13H15N7OS/c1-3-4-5-9-17-18-13(22-9)16-11(21)10-15-12-14-7-6-8(2)20(12)19-10/h6-7H,3-5H2,1-2H3,(H,16,18,21)
InChIKeyHITNUVCMERHIGA-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.88
Rot. Bonds5

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2564268) has the molecular formula C13H15N7OS and a molecular weight of 317.38 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2564268
Molecular FormulaC13H15N7OS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCc1nnc(NC(=O)c2nc3nccc(C)n3n2)s1
InChIInChI=1S/C13H15N7OS/c1-3-4-5-9-17-18-13(22-9)16-11(21)10-15-12-14-7-6-8(2)20(12)19-10/h6-7H,3-5H2,1-2H3,(H,16,18,21)
InChIKeyHITNUVCMERHIGA-UHFFFAOYSA-N
XLogP1.88
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2564268) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCCCc1nnc(NC(=O)c2nc3nccc(C)n3n2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HITNUVCMERHIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7OS/c1-3-4-5-9-17-18-13(22-9)16-11(21)10-15-12-14-7-6-8(2)20(12)19-10/h6-7H,3-5H2,1-2H3,(H,16,18,21).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 317.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2564268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).