3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

C13H19N7OS — CID 167765432

IUPAC3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESCn1nc2c(c1N)CN(C(=O)Nc1nc(C(C)(C)C)ns1)C2
InChIInChI=1S/C13H19N7OS/c1-13(2,3)10-15-11(22-18-10)16-12(21)20-5-7-8(6-20)17-19(4)9(7)14/h5-6,14H2,1-4H3,(H,15,16,18,21)
InChIKeyBCKFKJUBZVPUGN-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.70
Rot. Bonds1

About 3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (PubChem CID 167765432) has the molecular formula C13H19N7OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
PubChem CID167765432
Molecular FormulaC13H19N7OS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC Name3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESCn1nc2c(c1N)CN(C(=O)Nc1nc(C(C)(C)C)ns1)C2
InChIInChI=1S/C13H19N7OS/c1-13(2,3)10-15-11(22-18-10)16-12(21)20-5-7-8(6-20)17-19(4)9(7)14/h5-6,14H2,1-4H3,(H,15,16,18,21)
InChIKeyBCKFKJUBZVPUGN-UHFFFAOYSA-N
XLogP1.70
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-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 3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (CID 167765432) is 3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is Cn1nc2c(c1N)CN(C(=O)Nc1nc(C(C)(C)C)ns1)C2.
What is the InChIKey of 3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The InChIKey is BCKFKJUBZVPUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7OS/c1-13(2,3)10-15-11(22-18-10)16-12(21)20-5-7-8(6-20)17-19(4)9(7)14/h5-6,14H2,1-4H3,(H,15,16,18,21).
What are the key properties of 3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is sourced from PubChem (CID 167765432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).