2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide

C11H14N6OS — CID 114769668

IUPAC2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Sc2n[nH]c(=O)n2CC)c1
InChIInChI=1S/C11H14N6OS/c1-3-17-10(18)15-16-11(17)19-8-5-7(9(12)13)4-6(2)14-8/h4-5H,3H2,1-2H3,(H3,12,13)(H,15,18)
InChIKeyPSSRWTQYKTUTCK-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.73
Rot. Bonds4

About 2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide

2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide (PubChem CID 114769668) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide
PubChem CID114769668
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Sc2n[nH]c(=O)n2CC)c1
InChIInChI=1S/C11H14N6OS/c1-3-17-10(18)15-16-11(17)19-8-5-7(9(12)13)4-6(2)14-8/h4-5H,3H2,1-2H3,(H3,12,13)(H,15,18)
InChIKeyPSSRWTQYKTUTCK-UHFFFAOYSA-N
XLogP0.73
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide 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

4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2,6-dimethylpyridine-3-carboximidamide
CID 81052383
2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-5-methylbenzenecarboximidamide
CID 107931196
4-ethyl-3-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 80928901
3-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 80891780
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 76975652
3-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanimidamide
CID 62882879
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanimidamide
CID 62882877
4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 62884113
2-[ethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768868
3-[(6-bromo-2-pyridinyl)sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 63963474
2-methyl-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-4-carboximidamide
CID 114769659
3-[(6-chloro-2-pyridinyl)sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 63588823

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide (CID 114769668) is 2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Sc2n[nH]c(=O)n2CC)c1.
What is the InChIKey of 2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide?
The InChIKey is PSSRWTQYKTUTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-3-17-10(18)15-16-11(17)19-8-5-7(9(12)13)4-6(2)14-8/h4-5H,3H2,1-2H3,(H3,12,13)(H,15,18).
What are the key properties of 2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide?
2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide has a molecular weight of 278.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 114769668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).