5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide

C10H15N7S — CID 63750571

IUPAC5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1Sc1nnc(C)n1C
InChIInChI=1S/C10H15N7S/c1-5-7(8(11)12)9(17(4)15-5)18-10-14-13-6(2)16(10)3/h1-4H3,(H3,11,12)
InChIKeyCMOBXHSZIFLTRU-UHFFFAOYSA-N
MW265.35 g/mol
LogP0.60
Rot. Bonds3

About 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide

5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 63750571) has the molecular formula C10H15N7S and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID63750571
Molecular FormulaC10H15N7S
Molecular Weight265.35 g/mol
Exact Mass265.11
IUPAC Name5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1Sc1nnc(C)n1C
InChIInChI=1S/C10H15N7S/c1-5-7(8(11)12)9(17(4)15-5)18-10-14-13-6(2)16(10)3/h1-4H3,(H3,11,12)
InChIKeyCMOBXHSZIFLTRU-UHFFFAOYSA-N
XLogP0.60
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide (CID 63750571) is 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1Sc1nnc(C)n1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is CMOBXHSZIFLTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7S/c1-5-7(8(11)12)9(17(4)15-5)18-10-14-13-6(2)16(10)3/h1-4H3,(H3,11,12).
What are the key properties of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide?
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 265.35 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 63750571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).