4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide

C10H12N6S — CID 104603214

IUPAC4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)ccnc1Sc1ncnn1C
InChIInChI=1S/C10H12N6S/c1-6-3-4-13-9(7(6)8(11)12)17-10-14-5-15-16(10)2/h3-5H,1-2H3,(H3,11,12)
InChIKeyFXBRSSKNXGOIKK-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.95
Rot. Bonds3

About 4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide

4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide (PubChem CID 104603214) has the molecular formula C10H12N6S and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
PubChem CID104603214
Molecular FormulaC10H12N6S
Molecular Weight248.32 g/mol
Exact Mass248.08
IUPAC Name4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)ccnc1Sc1ncnn1C
InChIInChI=1S/C10H12N6S/c1-6-3-4-13-9(7(6)8(11)12)17-10-14-5-15-16(10)2/h3-5H,1-2H3,(H3,11,12)
InChIKeyFXBRSSKNXGOIKK-UHFFFAOYSA-N
XLogP0.95
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide?
The IUPAC name of 4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide (CID 104603214) is 4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide.
What is the SMILES notation for 4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide?
The canonical SMILES for 4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)ccnc1Sc1ncnn1C.
What is the InChIKey of 4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide?
The InChIKey is FXBRSSKNXGOIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c1-6-3-4-13-9(7(6)8(11)12)17-10-14-5-15-16(10)2/h3-5H,1-2H3,(H3,11,12).
What are the key properties of 4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide?
4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide has a molecular weight of 248.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide is sourced from PubChem (CID 104603214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).