(2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid

C7H11N5O2 — CID 67357667

IUPAC(2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid
SMILESN[C@@H](CCNc1nccnn1)C(=O)O
InChIInChI=1S/C7H11N5O2/c8-5(6(13)14)1-2-9-7-10-3-4-11-12-7/h3-5H,1-2,8H2,(H,13,14)(H,9,10,12)/t5-/m0/s1
InChIKeyQGIDZWGYHTZKST-YFKPBYRVSA-N
MW197.20 g/mol
LogP-0.91
Rot. Bonds5

About (2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid

(2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid (PubChem CID 67357667) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is (2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid
PubChem CID67357667
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name(2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid
SMILESN[C@@H](CCNc1nccnn1)C(=O)O
InChIInChI=1S/C7H11N5O2/c8-5(6(13)14)1-2-9-7-10-3-4-11-12-7/h3-5H,1-2,8H2,(H,13,14)(H,9,10,12)/t5-/m0/s1
InChIKeyQGIDZWGYHTZKST-YFKPBYRVSA-N
XLogP-0.91
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid 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 (2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid (CID 67357667) is (2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid is N[C@@H](CCNc1nccnn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid?
The InChIKey is QGIDZWGYHTZKST-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-5(6(13)14)1-2-9-7-10-3-4-11-12-7/h3-5H,1-2,8H2,(H,13,14)(H,9,10,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid?
(2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid has a molecular weight of 197.20 g/mol, XLogP of -0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid is sourced from PubChem (CID 67357667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).