4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one

C10H9ClN4OS — CID 7196836

IUPAC4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one
SMILESNn1c(SCc2ccc(Cl)cc2)nncc1=O
InChIInChI=1S/C10H9ClN4OS/c11-8-3-1-7(2-4-8)6-17-10-14-13-5-9(16)15(10)12/h1-5H,6,12H2
InChIKeyGNZKERZUJOCZCE-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.30
Rot. Bonds3

About 4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one

4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one (PubChem CID 7196836) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one
PubChem CID7196836
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one
SMILESNn1c(SCc2ccc(Cl)cc2)nncc1=O
InChIInChI=1S/C10H9ClN4OS/c11-8-3-1-7(2-4-8)6-17-10-14-13-5-9(16)15(10)12/h1-5H,6,12H2
InChIKeyGNZKERZUJOCZCE-UHFFFAOYSA-N
XLogP1.30
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-(3-aminopropylsulfanyl)-1,2,4-triazin-5-one
CID 28915719
4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one
CID 23412436
3-tert-butyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 29178729
4-amino-6-benzyl-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one
CID 7590546
4-amino-6-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one
CID 7590557
tert-butyl N-[(1R)-1-[4-amino-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-methylpropyl]carbamate
CID 51554719
3-[(4-bromophenyl)methylsulfanyl]-5-(2,5-dichlorophenyl)-1,2,4-triazol-4-amine
CID 5193529
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 7196821
3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
CID 45030918
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 39757702
tert-butyl N-[(1R)-1-[4-amino-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]carbamate
CID 51554705
3-amino-7-chloro-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one
CID 53366653

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one (CID 7196836) is 4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one is Nn1c(SCc2ccc(Cl)cc2)nncc1=O.
What is the InChIKey of 4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The InChIKey is GNZKERZUJOCZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c11-8-3-1-7(2-4-8)6-17-10-14-13-5-9(16)15(10)12/h1-5H,6,12H2.
What are the key properties of 4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one has a molecular weight of 268.73 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one is sourced from PubChem (CID 7196836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).