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

C4H6N4O2 — CID 139597001

IUPAC2-amino-2-(1,2,4-triazol-1-yl)acetic acid
SMILESNC(C(=O)O)n1cncn1
InChIInChI=1S/C4H6N4O2/c5-3(4(9)10)8-2-6-1-7-8/h1-3H,5H2,(H,9,10)
InChIKeyRXQSKGGTYNLGHU-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.18
Rot. Bonds2

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

2-amino-2-(1,2,4-triazol-1-yl)acetic acid (PubChem CID 139597001) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 2-amino-2-(1,2,4-triazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1,2,4-triazol-1-yl)acetic acid
PubChem CID139597001
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name2-amino-2-(1,2,4-triazol-1-yl)acetic acid
SMILESNC(C(=O)O)n1cncn1
InChIInChI=1S/C4H6N4O2/c5-3(4(9)10)8-2-6-1-7-8/h1-3H,5H2,(H,9,10)
InChIKeyRXQSKGGTYNLGHU-UHFFFAOYSA-N
XLogP-1.18
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 ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Triazole-1-acetic acid
CID 1810180
1-Tetrazolylacetic acid
CID 543207
(3-Nitro-1H-1,2,4-triazol-1-yl)acetic acid
CID 1242264
2-(4H-1,2,4-triazol-4-yl)acetic acid
CID 12888432
methyl 2-(3-amino-1H-1,2,4-triazol-1-yl)acetate
CID 593575
N-(3-Amino-4H-1,2,4-triazol-4-yl)glycine
CID 10534931
(5-amino-1H-tetrazol-1-yl)acetic acid
CID 567014
sodium 2-(1H-1,2,4-triazol-1-yl)acetate
CID 23670802
ethyl 2-(3-amino-1H-1,2,4-triazol-1-yl)acetate
CID 42643123
2-(1H-1,2,4-triazol-1-yl)acetic acid hydrochloride
CID 44887050
(3-bromo-1H-1,2,4-triazol-1-yl)acetic acid
CID 86208004
ethyl 2-(5-amino-1H-1,2,4-triazol-1-yl)acetate
CID 63277510

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,2,4-triazol-1-yl)acetic acid?
The IUPAC name of 2-amino-2-(1,2,4-triazol-1-yl)acetic acid (CID 139597001) is 2-amino-2-(1,2,4-triazol-1-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1,2,4-triazol-1-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1,2,4-triazol-1-yl)acetic acid is NC(C(=O)O)n1cncn1.
What is the InChIKey of 2-amino-2-(1,2,4-triazol-1-yl)acetic acid?
The InChIKey is RXQSKGGTYNLGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-3(4(9)10)8-2-6-1-7-8/h1-3H,5H2,(H,9,10).
What are the key properties of 2-amino-2-(1,2,4-triazol-1-yl)acetic acid?
2-amino-2-(1,2,4-triazol-1-yl)acetic acid has a molecular weight of 142.12 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,2,4-triazol-1-yl)acetic acid is sourced from PubChem (CID 139597001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).