2-(5-aminotetrazol-1-yl)acetic acid

C3H5N5O2 — CID 567014

IUPAC2-(5-aminotetrazol-1-yl)acetic acid
SMILESNc1nnnn1CC(=O)O
InChIInChI=1S/C3H5N5O2/c4-3-5-6-7-8(3)1-2(9)10/h1H2,(H,9,10)(H2,4,5,7)
InChIKeyZCQDUSMMXXCYAS-UHFFFAOYSA-N
MW143.11 g/mol
LogP-1.66
Rot. Bonds2

About 2-(5-aminotetrazol-1-yl)acetic acid

2-(5-aminotetrazol-1-yl)acetic acid (PubChem CID 567014) has the molecular formula C3H5N5O2 and a molecular weight of 143.11 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)acetic acid
PubChem CID567014
Molecular FormulaC3H5N5O2
Molecular Weight143.11 g/mol
Exact Mass143.04
IUPAC Name2-(5-aminotetrazol-1-yl)acetic acid
SMILESNc1nnnn1CC(=O)O
InChIInChI=1S/C3H5N5O2/c4-3-5-6-7-8(3)1-2(9)10/h1H2,(H,9,10)(H2,4,5,7)
InChIKeyZCQDUSMMXXCYAS-UHFFFAOYSA-N
XLogP-1.66
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)acetic acid?
The IUPAC name of 2-(5-aminotetrazol-1-yl)acetic acid (CID 567014) is 2-(5-aminotetrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)acetic acid is Nc1nnnn1CC(=O)O.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)acetic acid?
The InChIKey is ZCQDUSMMXXCYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O2/c4-3-5-6-7-8(3)1-2(9)10/h1H2,(H,9,10)(H2,4,5,7).
What are the key properties of 2-(5-aminotetrazol-1-yl)acetic acid?
2-(5-aminotetrazol-1-yl)acetic acid has a molecular weight of 143.11 g/mol, XLogP of -1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)acetic acid is sourced from PubChem (CID 567014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).