6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

C17H19N5O3S — CID 5081526

IUPAC6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1
InChIInChI=1S/C17H19N5O3S/c1-3-7-26-17-21-20-14(8-11-9-15(23)19-16(24)18-11)22(17)12-5-4-6-13(10-12)25-2/h4-6,9-10H,3,7-8H2,1-2H3,(H2,18,19,23,24)
InChIKeyBFTMOODJHZARLQ-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.75
Rot. Bonds7

About 6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 5081526) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID5081526
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1
InChIInChI=1S/C17H19N5O3S/c1-3-7-26-17-21-20-14(8-11-9-15(23)19-16(24)18-11)22(17)12-5-4-6-13(10-12)25-2/h4-6,9-10H,3,7-8H2,1-2H3,(H2,18,19,23,24)
InChIKeyBFTMOODJHZARLQ-UHFFFAOYSA-N
XLogP1.75
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-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-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione (CID 5081526) is 6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione is CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1.
What is the InChIKey of 6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BFTMOODJHZARLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-3-7-26-17-21-20-14(8-11-9-15(23)19-16(24)18-11)22(17)12-5-4-6-13(10-12)25-2/h4-6,9-10H,3,7-8H2,1-2H3,(H2,18,19,23,24).
What are the key properties of 6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 373.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 5081526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).