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

C4H6N4O2 — CID 19620636

IUPAC2-(3-amino-1,2,4-triazol-1-yl)acetic acid
SMILESNc1ncn(CC(=O)O)n1
InChIInChI=1S/C4H6N4O2/c5-4-6-2-8(7-4)1-3(9)10/h2H,1H2,(H2,5,7)(H,9,10)
InChIKeyWNEPQGXFDUUWRF-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.06
Rot. Bonds2

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

2-(3-amino-1,2,4-triazol-1-yl)acetic acid (PubChem CID 19620636) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)acetic acid
PubChem CID19620636
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)acetic acid
SMILESNc1ncn(CC(=O)O)n1
InChIInChI=1S/C4H6N4O2/c5-4-6-2-8(7-4)1-3(9)10/h2H,1H2,(H2,5,7)(H,9,10)
InChIKeyWNEPQGXFDUUWRF-UHFFFAOYSA-N
XLogP-1.06
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)acetic acid?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)acetic acid (CID 19620636) is 2-(3-amino-1,2,4-triazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)acetic acid is Nc1ncn(CC(=O)O)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)acetic acid?
The InChIKey is WNEPQGXFDUUWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-4-6-2-8(7-4)1-3(9)10/h2H,1H2,(H2,5,7)(H,9,10).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)acetic acid?
2-(3-amino-1,2,4-triazol-1-yl)acetic acid has a molecular weight of 142.12 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)acetic acid is sourced from PubChem (CID 19620636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).