6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one

C15H18N4O2S — CID 764055

IUPAC6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccccc1O
InChIInChI=1S/C15H18N4O2S/c1-15(2,3)12-13(21)19(14(22-4)18-17-12)16-9-10-7-5-6-8-11(10)20/h5-9,20H,1-4H3
InChIKeySQGUZLUOIPULSB-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.25
Rot. Bonds3

About 6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one

6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one (PubChem CID 764055) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
PubChem CID764055
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccccc1O
InChIInChI=1S/C15H18N4O2S/c1-15(2,3)12-13(21)19(14(22-4)18-17-12)16-9-10-7-5-6-8-11(10)20/h5-9,20H,1-4H3
InChIKeySQGUZLUOIPULSB-UHFFFAOYSA-N
XLogP2.25
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one 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

CID 135517165
CID 135517165
CID 135517168
CID 135517168
CID 135473301
CID 135473301
CID 135576335
CID 135576335
CID 6882148
CID 6882148
CID 136750554
CID 136750554
CID 136822679
CID 136822679
CID 135607764
CID 135607764
CID 2323766
CID 2323766
CID 5668815
CID 5668815
CID 6900277
CID 6900277
CID 764052
CID 764052

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one?
The IUPAC name of 6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one (CID 764055) is 6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one.
What is the SMILES notation for 6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one?
The canonical SMILES for 6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one is CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccccc1O.
What is the InChIKey of 6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one?
The InChIKey is SQGUZLUOIPULSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-15(2,3)12-13(21)19(14(22-4)18-17-12)16-9-10-7-5-6-8-11(10)20/h5-9,20H,1-4H3.
What are the key properties of 6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one?
6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one has a molecular weight of 318.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-[(2-hydroxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one is sourced from PubChem (CID 764055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).