2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C16H12N4S — CID 43841117

IUPAC2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCSc1nc2nccc(-c3cccc4ccccc34)n2n1
InChIInChI=1S/C16H12N4S/c1-21-16-18-15-17-10-9-14(20(15)19-16)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3
InChIKeyWZISDNWOODJPIT-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.67
Rot. Bonds2

About 2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 43841117) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID43841117
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCSc1nc2nccc(-c3cccc4ccccc34)n2n1
InChIInChI=1S/C16H12N4S/c1-21-16-18-15-17-10-9-14(20(15)19-16)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3
InChIKeyWZISDNWOODJPIT-UHFFFAOYSA-N
XLogP3.67
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-7-naphthalen-1-yl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 30465498
2-[(2,6-dichlorophenyl)methylsulfanyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1473241
2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 47001589
7-(4-bromophenyl)-2-ethylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50946425
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020
2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 30465384
2-benzylsulfanyl-7-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491542
7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56737952
7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 16585067
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
2-benzylsulfanyl-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491543
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 43841117) is 2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is CSc1nc2nccc(-c3cccc4ccccc34)n2n1.
What is the InChIKey of 2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WZISDNWOODJPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-21-16-18-15-17-10-9-14(20(15)19-16)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3.
What are the key properties of 2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 292.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-7-naphthalen-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 43841117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).