3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one

C10H10N4OS — CID 136779338

IUPAC3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one
SMILESCSc1cccc(Nc2nncc(=O)[nH]2)c1
InChIInChI=1S/C10H10N4OS/c1-16-8-4-2-3-7(5-8)12-10-13-9(15)6-11-14-10/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyYLHIWPLSWDZUBX-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.63
Rot. Bonds3

About 3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one

3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one (PubChem CID 136779338) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one
PubChem CID136779338
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one
SMILESCSc1cccc(Nc2nncc(=O)[nH]2)c1
InChIInChI=1S/C10H10N4OS/c1-16-8-4-2-3-7(5-8)12-10-13-9(15)6-11-14-10/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyYLHIWPLSWDZUBX-UHFFFAOYSA-N
XLogP1.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine
CID 106555444
2-(3-methylsulfanylanilino)-3H-quinazolin-4-one
CID 136779337
3-(4-tert-butylanilino)-4H-1,2,4-triazin-5-one
CID 135880045
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 43306507
5-chloro-4-(3-methylsulfanylanilino)-1H-pyrimidin-6-one
CID 136970486
3-(4-butylanilino)-4H-1,2,4-triazin-5-one
CID 135445446
N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 59506846
5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione
CID 23412179
N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068066
4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 79399128
ethyl 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate
CID 135445475
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one (CID 136779338) is 3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one is CSc1cccc(Nc2nncc(=O)[nH]2)c1.
What is the InChIKey of 3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one?
The InChIKey is YLHIWPLSWDZUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-16-8-4-2-3-7(5-8)12-10-13-9(15)6-11-14-10/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of 3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one?
3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one has a molecular weight of 234.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136779338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).