4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole

C14H13N3OS — CID 3088002

IUPAC4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole
SMILESCn1c(-c2ccc3ccccc3c2)nnc1S(C)=O
InChIInChI=1S/C14H13N3OS/c1-17-13(15-16-14(17)19(2)18)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
InChIKeyFDTVBXXBCICJCZ-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.37
Rot. Bonds2

About 4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole

4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole (PubChem CID 3088002) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole
PubChem CID3088002
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole
SMILESCn1c(-c2ccc3ccccc3c2)nnc1S(C)=O
InChIInChI=1S/C14H13N3OS/c1-17-13(15-16-14(17)19(2)18)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
InChIKeyFDTVBXXBCICJCZ-UHFFFAOYSA-N
XLogP2.37
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole 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

4-Methyl-3-methylsulfonyl-5-phenyl-4H-1,2,4-triazole
CID 164013
1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
CID 213226
5-[4''-(3-Butyl-5-methylsulfanyl-[1,2,4]triazol-4-ylmethyl)-biphenyl-2-yl]-1H-tetrazole
CID 10076683
5-[4''-(3-Butyl-5-methanesulfonyl-[1,2,4]triazol-4-ylmethyl)-biphenyl-2-yl]-1H-tetrazole
CID 10094614
5-Methylsulfanyl-3-naphthalen-2-yl-[1,2,4]triazole-1-carboxylic acid dimethylamide
CID 11232205
3-(1-Fluoronaphthalen-2-yl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11689246
4-Methyl-3-naphthalen-2-yl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 44448507
4H-1,2,4-Triazole, 4-methyl-3-(4-methylphenyl)-5-(methylthio)-
CID 817656
3-(Ethanesulfinyl)-4-methyl-5-phenyl-4H-1,2,4-triazole
CID 3087997
3-(2-Fluorophenyl)-5-(methanesulfinyl)-4-methyl-4H-1,2,4-triazole
CID 3088000
4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-
CID 3088005
4-ethyl-3-[(3-methylbenzyl)sulfanyl]-5-(4-methylphenyl)-4H-1,2,4-triazole
CID 5237861

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole?
The IUPAC name of 4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole (CID 3088002) is 4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole is Cn1c(-c2ccc3ccccc3c2)nnc1S(C)=O.
What is the InChIKey of 4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole?
The InChIKey is FDTVBXXBCICJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17-13(15-16-14(17)19(2)18)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3.
What are the key properties of 4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole?
4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole has a molecular weight of 271.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole is sourced from PubChem (CID 3088002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).