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

C5H9ClN4O2 — CID 90484264

IUPAC3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride
SMILESCl.Nc1ncn(CCC(=O)O)n1
InChIInChI=1S/C5H8N4O2.ClH/c6-5-7-3-9(8-5)2-1-4(10)11;/h3H,1-2H2,(H2,6,8)(H,10,11);1H
InChIKeyPSGXNSULLFMTIB-UHFFFAOYSA-N
MW192.61 g/mol
LogP-0.24
Rot. Bonds3

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

3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride (PubChem CID 90484264) has the molecular formula C5H9ClN4O2 and a molecular weight of 192.61 g/mol. Its IUPAC name is 3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride
PubChem CID90484264
Molecular FormulaC5H9ClN4O2
Molecular Weight192.61 g/mol
Exact Mass192.04
IUPAC Name3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride
SMILESCl.Nc1ncn(CCC(=O)O)n1
InChIInChI=1S/C5H8N4O2.ClH/c6-5-7-3-9(8-5)2-1-4(10)11;/h3H,1-2H2,(H2,6,8)(H,10,11);1H
InChIKeyPSGXNSULLFMTIB-UHFFFAOYSA-N
XLogP-0.24
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride (CID 90484264) is 3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride is Cl.Nc1ncn(CCC(=O)O)n1.
What is the InChIKey of 3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride?
The InChIKey is PSGXNSULLFMTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2.ClH/c6-5-7-3-9(8-5)2-1-4(10)11;/h3H,1-2H2,(H2,6,8)(H,10,11);1H.
What are the key properties of 3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride?
3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride has a molecular weight of 192.61 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,2,4-triazol-1-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 90484264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).