N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H21N5OS — CID 95330216

IUPACN-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCSc1ccc([C@@H](C)Nc2cc(C)nc3ncnn23)cc1
InChIInChI=1S/C17H21N5OS/c1-12-10-16(22-17(20-12)18-11-19-22)21-13(2)14-4-6-15(7-5-14)24-9-8-23-3/h4-7,10-11,13,21H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyXTXSVUPBYXYSFR-CYBMUJFWSA-N
MW343.46 g/mol
LogP3.34
Rot. Bonds7

About N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95330216) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID95330216
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCSc1ccc([C@@H](C)Nc2cc(C)nc3ncnn23)cc1
InChIInChI=1S/C17H21N5OS/c1-12-10-16(22-17(20-12)18-11-19-22)21-13(2)14-4-6-15(7-5-14)24-9-8-23-3/h4-7,10-11,13,21H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyXTXSVUPBYXYSFR-CYBMUJFWSA-N
XLogP3.34
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 134611496
N-[(1R)-1-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 134611331
N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106181451
N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32678340
N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99801280
5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63091597
N-but-3-en-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115692025
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine
CID 114163264
N-[(1R)-1-(4-chlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 30039564
5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103946696
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 95330216) is N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCCSc1ccc([C@@H](C)Nc2cc(C)nc3ncnn23)cc1.
What is the InChIKey of N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XTXSVUPBYXYSFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-10-16(22-17(20-12)18-11-19-22)21-13(2)14-4-6-15(7-5-14)24-9-8-23-3/h4-7,10-11,13,21H,8-9H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 343.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95330216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).