2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid

C5H9N5O2 — CID 6451496

IUPAC2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid
SMILESNc1ncn(CC(N)C(=O)O)n1
InChIInChI=1S/C5H9N5O2/c6-3(4(11)12)1-10-2-8-5(7)9-10/h2-3H,1,6H2,(H2,7,9)(H,11,12)
InChIKeyBYXVMSJDNJUGKY-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.73
Rot. Bonds3

About 2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid

2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid (PubChem CID 6451496) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid
PubChem CID6451496
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid
SMILESNc1ncn(CC(N)C(=O)O)n1
InChIInChI=1S/C5H9N5O2/c6-3(4(11)12)1-10-2-8-5(7)9-10/h2-3H,1,6H2,(H2,7,9)(H,11,12)
InChIKeyBYXVMSJDNJUGKY-UHFFFAOYSA-N
XLogP-1.73
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic 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 2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid (CID 6451496) is 2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid is Nc1ncn(CC(N)C(=O)O)n1.
What is the InChIKey of 2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid?
The InChIKey is BYXVMSJDNJUGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c6-3(4(11)12)1-10-2-8-5(7)9-10/h2-3H,1,6H2,(H2,7,9)(H,11,12).
What are the key properties of 2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid?
2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid has a molecular weight of 171.16 g/mol, XLogP of -1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-amino-1,2,4-triazol-1-yl)propanoic acid is sourced from PubChem (CID 6451496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).