8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one

C15H16N4O2S — CID 67757770

IUPAC8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one
SMILESCc1ncn2c(S(=O)CCCc3ccccc3)n[nH]c(=O)c12
InChIInChI=1S/C15H16N4O2S/c1-11-13-14(20)17-18-15(19(13)10-16-11)22(21)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,17,20)
InChIKeyMHUNEWADQJATAS-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.47
Rot. Bonds5

About 8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one

8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one (PubChem CID 67757770) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one
PubChem CID67757770
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one
SMILESCc1ncn2c(S(=O)CCCc3ccccc3)n[nH]c(=O)c12
InChIInChI=1S/C15H16N4O2S/c1-11-13-14(20)17-18-15(19(13)10-16-11)22(21)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,17,20)
InChIKeyMHUNEWADQJATAS-UHFFFAOYSA-N
XLogP1.47
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one 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 8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one?
The IUPAC name of 8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one (CID 67757770) is 8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one.
What is the SMILES notation for 8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one?
The canonical SMILES for 8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one is Cc1ncn2c(S(=O)CCCc3ccccc3)n[nH]c(=O)c12.
What is the InChIKey of 8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one?
The InChIKey is MHUNEWADQJATAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-11-13-14(20)17-18-15(19(13)10-16-11)22(21)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,17,20).
What are the key properties of 8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one?
8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one has a molecular weight of 316.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(3-phenylpropylsulfinyl)-2H-imidazo[1,5-d][1,2,4]triazin-1-one is sourced from PubChem (CID 67757770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).