3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol

C14H13N3OS — CID 651108

IUPAC3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol
SMILESCSc1nnc(-c2cc3ccccc3cc2O)n1C
InChIInChI=1S/C14H13N3OS/c1-17-13(15-16-14(17)19-2)11-7-9-5-3-4-6-10(9)8-12(11)18/h3-8,18H,1-2H3
InChIKeyDHFMOEGTWJWYCY-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.06
Rot. Bonds2

About 3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol

3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol (PubChem CID 651108) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol
PubChem CID651108
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol
SMILESCSc1nnc(-c2cc3ccccc3cc2O)n1C
InChIInChI=1S/C14H13N3OS/c1-17-13(15-16-14(17)19-2)11-7-9-5-3-4-6-10(9)8-12(11)18/h3-8,18H,1-2H3
InChIKeyDHFMOEGTWJWYCY-UHFFFAOYSA-N
XLogP3.06
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-Ethyl-5-(3-hydroxy-naphthalen-2-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N,N-diisopropyl-acetamide
CID 649430
N,N-diethyl-2-[[4-ethyl-5-(3-oxo-2-naphthalenylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide
CID 645573
2-[5-(3-Hydroxy-naphthalen-2-yl)-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N,N-diisopropyl-acetamide
CID 656363
4-(4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-phenol
CID 649850
3-(6-Methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-2-naphthol
CID 2974397
2-[5-Methylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]phenol
CID 863600
3-[6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]naphthalen-2-ol
CID 135733008
3-(5-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-ylidene)naphthalen-2(3H)-one
CID 135618203
4-(1-ethyl-1H-1,2,4-triazol-5-yl)-1-naphthol
CID 137025364
3-[5-(Difluoromethylsulfanyl)-1-methyl-1,2,4-triazol-3-yl]-2,4,5,6-tetramethylphenol
CID 59930730
3-[5-(Difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2,4,5,6-tetramethylphenol
CID 59930750
3-(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)naphthalen-2-ol
CID 135506852

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol?
The IUPAC name of 3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol (CID 651108) is 3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol.
What is the SMILES notation for 3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol?
The canonical SMILES for 3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol is CSc1nnc(-c2cc3ccccc3cc2O)n1C.
What is the InChIKey of 3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol?
The InChIKey is DHFMOEGTWJWYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17-13(15-16-14(17)19-2)11-7-9-5-3-4-6-10(9)8-12(11)18/h3-8,18H,1-2H3.
What are the key properties of 3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol?
3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol has a molecular weight of 271.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)naphthalen-2-ol is sourced from PubChem (CID 651108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).