(2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide

C10H17N5OS — CID 104919455

IUPAC(2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H17N5OS/c1-6-7(2)14-15-10(12-6)13-9(16)8(11)4-5-17-3/h8H,4-5,11H2,1-3H3,(H,12,13,15,16)/t8-/m0/s1
InChIKeyGZBBTPHHEAAQFO-QMMMGPOBSA-N
MW255.35 g/mol
LogP0.51
Rot. Bonds5

About (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide (PubChem CID 104919455) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide
PubChem CID104919455
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name(2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H17N5OS/c1-6-7(2)14-15-10(12-6)13-9(16)8(11)4-5-17-3/h8H,4-5,11H2,1-3H3,(H,12,13,15,16)/t8-/m0/s1
InChIKeyGZBBTPHHEAAQFO-QMMMGPOBSA-N
XLogP0.51
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide (CID 104919455) is (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)Nc1nnc(C)c(C)n1.
What is the InChIKey of (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide?
The InChIKey is GZBBTPHHEAAQFO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-6-7(2)14-15-10(12-6)13-9(16)8(11)4-5-17-3/h8H,4-5,11H2,1-3H3,(H,12,13,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide has a molecular weight of 255.35 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104919455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).