5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine

C12H13N3O2S — CID 3053034

IUPAC5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
SMILESCOc1ccc(-c2cnnc(SC)n2)cc1OC
InChIInChI=1S/C12H13N3O2S/c1-16-10-5-4-8(6-11(10)17-2)9-7-13-15-12(14-9)18-3/h4-7H,1-3H3
InChIKeyJKQVCKXDGNZXAP-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.28
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine

5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine (PubChem CID 3053034) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
PubChem CID3053034
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
SMILESCOc1ccc(-c2cnnc(SC)n2)cc1OC
InChIInChI=1S/C12H13N3O2S/c1-16-10-5-4-8(6-11(10)17-2)9-7-13-15-12(14-9)18-3/h4-7H,1-3H3
InChIKeyJKQVCKXDGNZXAP-UHFFFAOYSA-N
XLogP2.28
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-Dimethoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 715685
3,4-Dihydroxybenzaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 135497924
as-Triazine, 3-hydrazino-5-(4-methoxyphenyl)-
CID 3042264
3,4-Dimethoxybenzaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 9776892
4-Ethoxy-3-methoxybenzaldehyde (5-phenyl-1,2,4-triazin-3-yl)hydrazone
CID 9776894
1,2,4-Triazine, 5,6-bis(4-methoxyphenyl)-3-(methylthio)-
CID 617240
3,5-Diamino-6-[3,4-dimethoxyphenyl]-1,2,4-triazine
CID 618983
as-Triazine, 5-(3,4-dimethoxyphenyl)-3-methoxy-
CID 3053037
as-Triazine, 5-(p-methoxyphenyl)-3-(methylthio)-
CID 3053042
as-Triazine, 3-methoxy-5-(p-methoxyphenyl)-
CID 3053044
as-Triazine, 5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-
CID 3053061
as-Triazine, 5,6-bis(3,4-dimethoxyphenyl)-3-(methylthio)-
CID 3053073

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine (CID 3053034) is 5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine is COc1ccc(-c2cnnc(SC)n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
The InChIKey is JKQVCKXDGNZXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-16-10-5-4-8(6-11(10)17-2)9-7-13-15-12(14-9)18-3/h4-7H,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine has a molecular weight of 263.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,2,4-triazine is sourced from PubChem (CID 3053034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).