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

C4H7N5O2 — CID 10534931

IUPAC2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid
SMILESNc1nncn1NCC(=O)O
InChIInChI=1S/C4H7N5O2/c5-4-8-6-2-9(4)7-1-3(10)11/h2,7H,1H2,(H2,5,8)(H,10,11)
InChIKeyGYMUQZWNHGJNBG-UHFFFAOYSA-N
MW157.13 g/mol
LogP-1.51
Rot. Bonds3

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

2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid (PubChem CID 10534931) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid
PubChem CID10534931
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Name2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid
SMILESNc1nncn1NCC(=O)O
InChIInChI=1S/C4H7N5O2/c5-4-8-6-2-9(4)7-1-3(10)11/h2,7H,1H2,(H2,5,8)(H,10,11)
InChIKeyGYMUQZWNHGJNBG-UHFFFAOYSA-N
XLogP-1.51
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid?
The IUPAC name of 2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid (CID 10534931) is 2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid is Nc1nncn1NCC(=O)O.
What is the InChIKey of 2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid?
The InChIKey is GYMUQZWNHGJNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c5-4-8-6-2-9(4)7-1-3(10)11/h2,7H,1H2,(H2,5,8)(H,10,11).
What are the key properties of 2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid?
2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid has a molecular weight of 157.13 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2,4-triazol-4-yl)amino]acetic acid is sourced from PubChem (CID 10534931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).