(2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide

C8H13N5O — CID 15678299

IUPAC(2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C8H13N5O/c1-5(2)6(9)7(14)12-8-10-3-4-11-13-8/h3-6H,9H2,1-2H3,(H,10,12,13,14)/t6-/m0/s1
InChIKeyXWPVTHAACXEIKN-LURJTMIESA-N
MW195.23 g/mol
LogP-0.21
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide

(2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide (PubChem CID 15678299) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide
PubChem CID15678299
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name(2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C8H13N5O/c1-5(2)6(9)7(14)12-8-10-3-4-11-13-8/h3-6H,9H2,1-2H3,(H,10,12,13,14)/t6-/m0/s1
InChIKeyXWPVTHAACXEIKN-LURJTMIESA-N
XLogP-0.21
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide (CID 15678299) is (2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide is CC(C)[C@H](N)C(=O)Nc1nccnn1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide?
The InChIKey is XWPVTHAACXEIKN-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N5O/c1-5(2)6(9)7(14)12-8-10-3-4-11-13-8/h3-6H,9H2,1-2H3,(H,10,12,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide?
(2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide has a molecular weight of 195.23 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)butanamide is sourced from PubChem (CID 15678299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).