6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione

C12H16N6O3S — CID 7866781

IUPAC6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nncn2C)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N6O3S/c1-3-4-18-9(13)8(10(20)15-11(18)21)7(19)5-22-12-16-14-6-17(12)2/h6H,3-5,13H2,1-2H3,(H,15,20,21)
InChIKeyPUDMSFPQSFKYGI-UHFFFAOYSA-N
MW324.37 g/mol
LogP-0.37
Rot. Bonds6

About 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 7866781) has the molecular formula C12H16N6O3S and a molecular weight of 324.37 g/mol. Its IUPAC name is 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID7866781
Molecular FormulaC12H16N6O3S
Molecular Weight324.37 g/mol
Exact Mass324.10
IUPAC Name6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nncn2C)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N6O3S/c1-3-4-18-9(13)8(10(20)15-11(18)21)7(19)5-22-12-16-14-6-17(12)2/h6H,3-5,13H2,1-2H3,(H,15,20,21)
InChIKeyPUDMSFPQSFKYGI-UHFFFAOYSA-N
XLogP-0.37
TPSA128.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione 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 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione (CID 7866781) is 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2nncn2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is PUDMSFPQSFKYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3S/c1-3-4-18-9(13)8(10(20)15-11(18)21)7(19)5-22-12-16-14-6-17(12)2/h6H,3-5,13H2,1-2H3,(H,15,20,21).
What are the key properties of 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 324.37 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 7866781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).