(2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide

C13H23N5O — CID 104919490

IUPAC(2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide
SMILESCCc1nnc(NC(=O)[C@@H](N)[C@@H](C)CC)nc1CC
InChIInChI=1S/C13H23N5O/c1-5-8(4)11(14)12(19)16-13-15-9(6-2)10(7-3)17-18-13/h8,11H,5-7,14H2,1-4H3,(H,15,16,18,19)/t8-,11-/m0/s1
InChIKeyJGNDRHPFPNUIIC-KWQFWETISA-N
MW265.36 g/mol
LogP1.31
Rot. Bonds6

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

(2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide (PubChem CID 104919490) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide
PubChem CID104919490
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide
SMILESCCc1nnc(NC(=O)[C@@H](N)[C@@H](C)CC)nc1CC
InChIInChI=1S/C13H23N5O/c1-5-8(4)11(14)12(19)16-13-15-9(6-2)10(7-3)17-18-13/h8,11H,5-7,14H2,1-4H3,(H,15,16,18,19)/t8-,11-/m0/s1
InChIKeyJGNDRHPFPNUIIC-KWQFWETISA-N
XLogP1.31
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide (CID 104919490) is (2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide is CCc1nnc(NC(=O)[C@@H](N)[C@@H](C)CC)nc1CC.
What is the InChIKey of (2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide?
The InChIKey is JGNDRHPFPNUIIC-KWQFWETISA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-8(4)11(14)12(19)16-13-15-9(6-2)10(7-3)17-18-13/h8,11H,5-7,14H2,1-4H3,(H,15,16,18,19)/t8-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide has a molecular weight of 265.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide is sourced from PubChem (CID 104919490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).