1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione

C12H17N7S — CID 79305882

IUPAC1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCCn1nc(C)c2[nH]c(=S)n(C(C)c3nncn3C)c21
InChIInChI=1S/C12H17N7S/c1-5-18-11-9(7(2)16-18)14-12(20)19(11)8(3)10-15-13-6-17(10)4/h6,8H,5H2,1-4H3,(H,14,20)
InChIKeyAMJQQFHNHYKHFF-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.96
Rot. Bonds3

About 1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione

1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione (PubChem CID 79305882) has the molecular formula C12H17N7S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione
PubChem CID79305882
Molecular FormulaC12H17N7S
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC Name1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCCn1nc(C)c2[nH]c(=S)n(C(C)c3nncn3C)c21
InChIInChI=1S/C12H17N7S/c1-5-18-11-9(7(2)16-18)14-12(20)19(11)8(3)10-15-13-6-17(10)4/h6,8H,5H2,1-4H3,(H,14,20)
InChIKeyAMJQQFHNHYKHFF-UHFFFAOYSA-N
XLogP1.96
TPSA69.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-6-[1-(4-fluorophenyl)ethyl]-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79284503
1-ethyl-6-[1-(furan-2-yl)ethyl]-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79304912
1-ethyl-3-methyl-6-(1-thiophen-2-ylethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79304844
6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79283363
1-ethyl-3-methyl-6-(1-methylsulfanylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 113472882
2-(1-ethyl-3-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
CID 79305253
6-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 62117746
1-ethyl-3-methyl-6-(1-morpholin-4-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79283129
4-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898780
6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 102806286
1-ethyl-3-methyl-6-phenyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79305385
4,5-difluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 62532031

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione?
The IUPAC name of 1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione (CID 79305882) is 1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione.
What is the SMILES notation for 1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione?
The canonical SMILES for 1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione is CCn1nc(C)c2[nH]c(=S)n(C(C)c3nncn3C)c21.
What is the InChIKey of 1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione?
The InChIKey is AMJQQFHNHYKHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7S/c1-5-18-11-9(7(2)16-18)14-12(20)19(11)8(3)10-15-13-6-17(10)4/h6,8H,5H2,1-4H3,(H,14,20).
What are the key properties of 1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione?
1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione has a molecular weight of 291.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione is sourced from PubChem (CID 79305882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).