2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid

C4H6N4O2 — CID 566585

IUPAC2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid
SMILESNc1n[nH]c(CC(=O)O)n1
InChIInChI=1S/C4H6N4O2/c5-4-6-2(7-8-4)1-3(9)10/h1H2,(H,9,10)(H3,5,6,7,8)
InChIKeyONMNOXQLJYNSKN-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.99
Rot. Bonds2

About 2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid

2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid (PubChem CID 566585) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid
PubChem CID566585
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid
SMILESNc1n[nH]c(CC(=O)O)n1
InChIInChI=1S/C4H6N4O2/c5-4-6-2(7-8-4)1-3(9)10/h1H2,(H,9,10)(H3,5,6,7,8)
InChIKeyONMNOXQLJYNSKN-UHFFFAOYSA-N
XLogP-0.99
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid?
The IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid (CID 566585) is 2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid is Nc1n[nH]c(CC(=O)O)n1.
What is the InChIKey of 2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid?
The InChIKey is ONMNOXQLJYNSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-4-6-2(7-8-4)1-3(9)10/h1H2,(H,9,10)(H3,5,6,7,8).
What are the key properties of 2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid?
2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid has a molecular weight of 142.12 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid is sourced from PubChem (CID 566585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).