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

C7H11N5O — CID 104919513

IUPAC(2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide
SMILESCC[C@@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C7H11N5O/c1-2-5(8)6(13)11-7-9-3-4-10-12-7/h3-5H,2,8H2,1H3,(H,9,11,12,13)/t5-/m1/s1
InChIKeyAROWWDITQSBJDS-RXMQYKEDSA-N
MW181.20 g/mol
LogP-0.45
Rot. Bonds3

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

(2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide (PubChem CID 104919513) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide
PubChem CID104919513
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name(2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide
SMILESCC[C@@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C7H11N5O/c1-2-5(8)6(13)11-7-9-3-4-10-12-7/h3-5H,2,8H2,1H3,(H,9,11,12,13)/t5-/m1/s1
InChIKeyAROWWDITQSBJDS-RXMQYKEDSA-N
XLogP-0.45
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide?
The IUPAC name of (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide (CID 104919513) is (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide is CC[C@@H](N)C(=O)Nc1nccnn1.
What is the InChIKey of (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide?
The InChIKey is AROWWDITQSBJDS-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11N5O/c1-2-5(8)6(13)11-7-9-3-4-10-12-7/h3-5H,2,8H2,1H3,(H,9,11,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide?
(2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide has a molecular weight of 181.20 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide is sourced from PubChem (CID 104919513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).