2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

C19H27N5O2S — CID 8569746

IUPAC2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
SMILESCc1nnc(SCC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)n(N)c1=O
InChIInChI=1S/C19H27N5O2S/c1-11(2)14-6-8-15(9-7-14)17(12(3)4)21-16(25)10-27-19-23-22-13(5)18(26)24(19)20/h6-9,11-12,17H,10,20H2,1-5H3,(H,21,25)/t17-/m1/s1
InChIKeyQIASHNXVOWTCLZ-QGZVFWFLSA-N
MW389.53 g/mol
LogP2.39
Rot. Bonds7

About 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (PubChem CID 8569746) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
PubChem CID8569746
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
SMILESCc1nnc(SCC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)n(N)c1=O
InChIInChI=1S/C19H27N5O2S/c1-11(2)14-6-8-15(9-7-14)17(12(3)4)21-16(25)10-27-19-23-22-13(5)18(26)24(19)20/h6-9,11-12,17H,10,20H2,1-5H3,(H,21,25)/t17-/m1/s1
InChIKeyQIASHNXVOWTCLZ-QGZVFWFLSA-N
XLogP2.39
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8569743
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 42887843
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46672571
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 9274301
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8569723
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 7196648
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 39757920
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
CID 7846378
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 7846484
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7846502
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17484977
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 9274229

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (CID 8569746) is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The canonical SMILES for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is Cc1nnc(SCC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)n(N)c1=O.
What is the InChIKey of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The InChIKey is QIASHNXVOWTCLZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-11(2)14-6-8-15(9-7-14)17(12(3)4)21-16(25)10-27-19-23-22-13(5)18(26)24(19)20/h6-9,11-12,17H,10,20H2,1-5H3,(H,21,25)/t17-/m1/s1.
What are the key properties of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide has a molecular weight of 389.53 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is sourced from PubChem (CID 8569746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).