2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide

C11H18N6O3S — CID 9274301

IUPAC2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CSc1nnc(C)c(=O)n1N
InChIInChI=1S/C11H18N6O3S/c1-4-6(2)13-10(20)14-8(18)5-21-11-16-15-7(3)9(19)17(11)12/h6H,4-5,12H2,1-3H3,(H2,13,14,18,20)/t6-/m0/s1
InChIKeyRLJPCDMVLFJKKR-LURJTMIESA-N
MW314.37 g/mol
LogP-0.62
Rot. Bonds5

About 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide (PubChem CID 9274301) has the molecular formula C11H18N6O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
PubChem CID9274301
Molecular FormulaC11H18N6O3S
Molecular Weight314.37 g/mol
Exact Mass314.12
IUPAC Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CSc1nnc(C)c(=O)n1N
InChIInChI=1S/C11H18N6O3S/c1-4-6(2)13-10(20)14-8(18)5-21-11-16-15-7(3)9(19)17(11)12/h6H,4-5,12H2,1-3H3,(H2,13,14,18,20)/t6-/m0/s1
InChIKeyRLJPCDMVLFJKKR-LURJTMIESA-N
XLogP-0.62
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2R)-butan-2-yl]carbamoyl]acetamide
CID 7955175
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
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895668
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-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895291
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7813046
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 7846445
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide
CID 2524759
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 7196648
2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-butan-2-yl]acetamide
CID 7561809
4-amino-6-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-one
CID 39757582
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8569723

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
The IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide (CID 9274301) is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide.
What is the SMILES notation for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
The canonical SMILES for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide is CC[C@H](C)NC(=O)NC(=O)CSc1nnc(C)c(=O)n1N.
What is the InChIKey of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
The InChIKey is RLJPCDMVLFJKKR-LURJTMIESA-N. The full InChI is InChI=1S/C11H18N6O3S/c1-4-6(2)13-10(20)14-8(18)5-21-11-16-15-7(3)9(19)17(11)12/h6H,4-5,12H2,1-3H3,(H2,13,14,18,20)/t6-/m0/s1.
What are the key properties of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide has a molecular weight of 314.37 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 8 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-[[(2S)-butan-2-yl]carbamoyl]acetamide is sourced from PubChem (CID 9274301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).