2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C14H14N4OS — CID 2766508

IUPAC2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)nc2nc(SCc3ccccc3)nn12
InChIInChI=1S/C14H14N4OS/c1-10-8-12(19-2)18-13(15-10)16-14(17-18)20-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyWQKPQTXKVMDIJV-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.73
Rot. Bonds4

About 2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2766508) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2766508
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)nc2nc(SCc3ccccc3)nn12
InChIInChI=1S/C14H14N4OS/c1-10-8-12(19-2)18-13(15-10)16-14(17-18)20-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyWQKPQTXKVMDIJV-UHFFFAOYSA-N
XLogP2.73
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzylsulfanyl-7-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 19757484
(2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine;dihydrochloride
CID 45262126
2-benzylsulfanyl-5,7-diethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56693783
2-benzylsulfanyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12915212
2-benzylsulfonyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2766512
5,7-dimethyl-2-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915206
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
11-benzylsulfanyl-7-methyl-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 14155101
methyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzoate
CID 2587145
5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5173536
2-benzylsulfanyl-7-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine
CID 15003636
4-benzylsulfanyl-8-methyl-2,3,5,7-tetrazatetracyclo[7.5.0.02,6.010,14]tetradeca-1(9),3,5,7-tetraene
CID 67937410

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2766508) is 2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(C)nc2nc(SCc3ccccc3)nn12.
What is the InChIKey of 2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WQKPQTXKVMDIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-10-8-12(19-2)18-13(15-10)16-14(17-18)20-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 286.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2766508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).