7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine

C18H14FN5OS — CID 7163541

IUPAC7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine
SMILESCOc1cccc(-n2nnc3c(SCc4cccc(F)c4)ncnc32)c1
InChIInChI=1S/C18H14FN5OS/c1-25-15-7-3-6-14(9-15)24-17-16(22-23-24)18(21-11-20-17)26-10-12-4-2-5-13(19)8-12/h2-9,11H,10H2,1H3
InChIKeyFZALNONNOLLDLL-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.65
Rot. Bonds5

About 7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine

7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine (PubChem CID 7163541) has the molecular formula C18H14FN5OS and a molecular weight of 367.41 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine
PubChem CID7163541
Molecular FormulaC18H14FN5OS
Molecular Weight367.41 g/mol
Exact Mass367.09
IUPAC Name7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine
SMILESCOc1cccc(-n2nnc3c(SCc4cccc(F)c4)ncnc32)c1
InChIInChI=1S/C18H14FN5OS/c1-25-15-7-3-6-14(9-15)24-17-16(22-23-24)18(21-11-20-17)26-10-12-4-2-5-13(19)8-12/h2-9,11H,10H2,1H3
InChIKeyFZALNONNOLLDLL-UHFFFAOYSA-N
XLogP3.65
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methylsulfanyl]triazolo[4,5-d]pyrimidine
CID 7163556
3-(4-fluorophenyl)-7-[(3-fluorophenyl)methylsulfanyl]triazolo[4,5-d]pyrimidine
CID 7118950
methyl 2-[3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylbutanoate
CID 43955276
N-(1,3-benzodioxol-5-yl)-2-[3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
CID 41028059
N-(2-ethoxyphenyl)-2-[3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
CID 41028048
7-[(4-bromophenyl)methylsulfanyl]-3-(4-methylphenyl)triazolo[4,5-d]pyrimidine
CID 7118920
N-(3-fluorophenyl)-2-[3-(3-methoxyphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869683
3-methyl-7-[(3-nitrophenyl)methylsulfanyl]triazolo[4,5-d]pyrimidine
CID 43955309
6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
CID 3245836
ethyl 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate
CID 7119004
2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-phenylacetamide
CID 7118976
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
CID 18554513

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine?
The IUPAC name of 7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine (CID 7163541) is 7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine is COc1cccc(-n2nnc3c(SCc4cccc(F)c4)ncnc32)c1.
What is the InChIKey of 7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine?
The InChIKey is FZALNONNOLLDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5OS/c1-25-15-7-3-6-14(9-15)24-17-16(22-23-24)18(21-11-20-17)26-10-12-4-2-5-13(19)8-12/h2-9,11H,10H2,1H3.
What are the key properties of 7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine?
7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine has a molecular weight of 367.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 7163541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).