3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione

C14H16N6S — CID 19588392

IUPAC3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione
SMILESCc1nn(C)c2nc(C3CC3)cc(-c3n[nH]c(=S)n3C)c12
InChIInChI=1S/C14H16N6S/c1-7-11-9(12-16-17-14(21)19(12)2)6-10(8-4-5-8)15-13(11)20(3)18-7/h6,8H,4-5H2,1-3H3,(H,17,21)
InChIKeyPPJSMGLGDHIZPA-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.61
Rot. Bonds2

About 3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione

3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione (PubChem CID 19588392) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione
PubChem CID19588392
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione
SMILESCc1nn(C)c2nc(C3CC3)cc(-c3n[nH]c(=S)n3C)c12
InChIInChI=1S/C14H16N6S/c1-7-11-9(12-16-17-14(21)19(12)2)6-10(8-4-5-8)15-13(11)20(3)18-7/h6,8H,4-5H2,1-3H3,(H,17,21)
InChIKeyPPJSMGLGDHIZPA-UHFFFAOYSA-N
XLogP2.61
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-1,2,4-triazole-5-thione
CID 17026044
6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbaldehyde
CID 169178500
6-cyclopropyl-N,N-diethyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 34838029
6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
CID 19590555
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
1-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 34840370
6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154521
6-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95753508
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852
1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 35612520

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione (CID 19588392) is 3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione is Cc1nn(C)c2nc(C3CC3)cc(-c3n[nH]c(=S)n3C)c12.
What is the InChIKey of 3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione?
The InChIKey is PPJSMGLGDHIZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-7-11-9(12-16-17-14(21)19(12)2)6-10(8-4-5-8)15-13(11)20(3)18-7/h6,8H,4-5H2,1-3H3,(H,17,21).
What are the key properties of 3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione?
3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione has a molecular weight of 300.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 19588392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).