3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one

C10H15N5OS — CID 103744176

IUPAC3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCCSCCCn1nnc2c(cnn2C)c1=O
InChIInChI=1S/C10H15N5OS/c1-3-17-6-4-5-15-10(16)8-7-11-14(2)9(8)12-13-15/h7H,3-6H2,1-2H3
InChIKeyDJDYTBYTYBRWMZ-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.67
Rot. Bonds5

About 3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one

3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one (PubChem CID 103744176) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
PubChem CID103744176
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCCSCCCn1nnc2c(cnn2C)c1=O
InChIInChI=1S/C10H15N5OS/c1-3-17-6-4-5-15-10(16)8-7-11-14(2)9(8)12-13-15/h7H,3-6H2,1-2H3
InChIKeyDJDYTBYTYBRWMZ-UHFFFAOYSA-N
XLogP0.67
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(9-bromononyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 105343168
3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 103934867
3-(3-methoxy-2-oxopropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107507832
3-[2-(2,3-difluorophenyl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 167822338
3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80609361
3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 104514014
3-[2-(4-butoxyphenyl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 100634454
3-[[3-(aminomethyl)-2-fluorophenyl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107113919
7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one
CID 102819861
3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107347731
3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80663299
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513641

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one (CID 103744176) is 3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one is CCSCCCn1nnc2c(cnn2C)c1=O.
What is the InChIKey of 3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is DJDYTBYTYBRWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-3-17-6-4-5-15-10(16)8-7-11-14(2)9(8)12-13-15/h7H,3-6H2,1-2H3.
What are the key properties of 3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one?
3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 253.33 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 103744176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).