4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol

C15H13N3OS — CID 114787358

IUPAC4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol
SMILESCc1nnc(Sc2ccc(O)c3ccccc23)nc1C
InChIInChI=1S/C15H13N3OS/c1-9-10(2)17-18-15(16-9)20-14-8-7-13(19)11-5-3-4-6-12(11)14/h3-8,19H,1-2H3
InChIKeyIBWRHFOZZMRHRU-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.50
Rot. Bonds2

About 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol

4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol (PubChem CID 114787358) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol
PubChem CID114787358
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol
SMILESCc1nnc(Sc2ccc(O)c3ccccc23)nc1C
InChIInChI=1S/C15H13N3OS/c1-9-10(2)17-18-15(16-9)20-14-8-7-13(19)11-5-3-4-6-12(11)14/h3-8,19H,1-2H3
InChIKeyIBWRHFOZZMRHRU-UHFFFAOYSA-N
XLogP3.50
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol (CID 114787358) is 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol is Cc1nnc(Sc2ccc(O)c3ccccc23)nc1C.
What is the InChIKey of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol?
The InChIKey is IBWRHFOZZMRHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-10(2)17-18-15(16-9)20-14-8-7-13(19)11-5-3-4-6-12(11)14/h3-8,19H,1-2H3.
What are the key properties of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol?
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol has a molecular weight of 283.36 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]naphthalen-1-ol is sourced from PubChem (CID 114787358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).