N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H19N5O2S — CID 133398019

IUPACN-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)CCc1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1
InChIInChI=1S/C20H19N5O2S/c1-28(26,27)12-11-15-7-9-17(10-8-15)23-19-13-18(16-5-3-2-4-6-16)24-20-21-14-22-25(19)20/h2-10,13-14,23H,11-12H2,1H3
InChIKeyLFZFVYJMKCCYNA-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.12
Rot. Bonds6

About N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133398019) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133398019
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)CCc1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1
InChIInChI=1S/C20H19N5O2S/c1-28(26,27)12-11-15-7-9-17(10-8-15)23-19-13-18(16-5-3-2-4-6-16)24-20-21-14-22-25(19)20/h2-10,13-14,23H,11-12H2,1H3
InChIKeyLFZFVYJMKCCYNA-UHFFFAOYSA-N
XLogP3.12
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133272102
N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3227263
methyl 2-[4-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]acetate
CID 133287591
N-[(3,5-dimethoxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46096732
N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133327350
2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 60507623
N-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46097425
3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile
CID 167860301
N-[2-(5-fluoro-2-methylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 178201764
(2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 95900420
N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine
CID 133398069
N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154752142

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133398019) is N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)CCc1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1.
What is the InChIKey of N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LFZFVYJMKCCYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-28(26,27)12-11-15-7-9-17(10-8-15)23-19-13-18(16-5-3-2-4-6-16)24-20-21-14-22-25(19)20/h2-10,13-14,23H,11-12H2,1H3.
What are the key properties of N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 393.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133398019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).