6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione

C11H18N4O2S — CID 79297116

IUPAC6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCOCCOCCn1c(=S)[nH]c2c(C)nn(C)c21
InChIInChI=1S/C11H18N4O2S/c1-8-9-10(14(2)13-8)15(11(18)12-9)4-5-17-7-6-16-3/h4-7H2,1-3H3,(H,12,18)
InChIKeyHTHXYQCAVTUMMZ-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.40
Rot. Bonds6

About 6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione

6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione (PubChem CID 79297116) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione.

Molecular Properties

Compound Name6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
PubChem CID79297116
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCOCCOCCn1c(=S)[nH]c2c(C)nn(C)c21
InChIInChI=1S/C11H18N4O2S/c1-8-9-10(14(2)13-8)15(11(18)12-9)4-5-17-7-6-16-3/h4-7H2,1-3H3,(H,12,18)
InChIKeyHTHXYQCAVTUMMZ-UHFFFAOYSA-N
XLogP1.40
TPSA57.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The IUPAC name of 6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione (CID 79297116) is 6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione.
What is the SMILES notation for 6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The canonical SMILES for 6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione is COCCOCCn1c(=S)[nH]c2c(C)nn(C)c21.
What is the InChIKey of 6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The InChIKey is HTHXYQCAVTUMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-8-9-10(14(2)13-8)15(11(18)12-9)4-5-17-7-6-16-3/h4-7H2,1-3H3,(H,12,18).
What are the key properties of 6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione?
6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione has a molecular weight of 270.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione is sourced from PubChem (CID 79297116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).