2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride

C5H9ClN4O2 — CID 138991426

IUPAC2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1cn[nH]n1)C(=O)O
InChIInChI=1S/C5H8N4O2.ClH/c6-4(5(10)11)1-3-2-7-9-8-3;/h2,4H,1,6H2,(H,10,11)(H,7,8,9);1H
InChIKeySURWAIYFPJMHQL-UHFFFAOYSA-N
MW192.61 g/mol
LogP-0.82
Rot. Bonds3

About 2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride

2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride (PubChem CID 138991426) has the molecular formula C5H9ClN4O2 and a molecular weight of 192.61 g/mol. Its IUPAC name is 2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride
PubChem CID138991426
Molecular FormulaC5H9ClN4O2
Molecular Weight192.61 g/mol
Exact Mass192.04
IUPAC Name2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1cn[nH]n1)C(=O)O
InChIInChI=1S/C5H8N4O2.ClH/c6-4(5(10)11)1-3-2-7-9-8-3;/h2,4H,1,6H2,(H,10,11)(H,7,8,9);1H
InChIKeySURWAIYFPJMHQL-UHFFFAOYSA-N
XLogP-0.82
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride (CID 138991426) is 2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride is Cl.NC(Cc1cn[nH]n1)C(=O)O.
What is the InChIKey of 2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride?
The InChIKey is SURWAIYFPJMHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2.ClH/c6-4(5(10)11)1-3-2-7-9-8-3;/h2,4H,1,6H2,(H,10,11)(H,7,8,9);1H.
What are the key properties of 2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride?
2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride has a molecular weight of 192.61 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2H-triazol-4-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 138991426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).