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

C3H5N5O2 — CID 21446547

IUPAC2-(5-aminotetrazol-5-yl)acetic acid
SMILESNC1(CC(=O)O)N=NN=N1
InChIInChI=1S/C3H5N5O2/c4-3(1-2(9)10)5-7-8-6-3/h1,4H2,(H,9,10)
InChIKeyJQBNNMCHGQAKTJ-UHFFFAOYSA-N
MW143.11 g/mol
LogP-0.09
Rot. Bonds2

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

2-(5-aminotetrazol-5-yl)acetic acid (PubChem CID 21446547) has the molecular formula C3H5N5O2 and a molecular weight of 143.11 g/mol. Its IUPAC name is 2-(5-aminotetrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(5-aminotetrazol-5-yl)acetic acid
PubChem CID21446547
Molecular FormulaC3H5N5O2
Molecular Weight143.11 g/mol
Exact Mass143.04
IUPAC Name2-(5-aminotetrazol-5-yl)acetic acid
SMILESNC1(CC(=O)O)N=NN=N1
InChIInChI=1S/C3H5N5O2/c4-3(1-2(9)10)5-7-8-6-3/h1,4H2,(H,9,10)
InChIKeyJQBNNMCHGQAKTJ-UHFFFAOYSA-N
XLogP-0.09
TPSA112.76 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 ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-5-yl)acetic acid?
The IUPAC name of 2-(5-aminotetrazol-5-yl)acetic acid (CID 21446547) is 2-(5-aminotetrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(5-aminotetrazol-5-yl)acetic acid?
The canonical SMILES for 2-(5-aminotetrazol-5-yl)acetic acid is NC1(CC(=O)O)N=NN=N1.
What is the InChIKey of 2-(5-aminotetrazol-5-yl)acetic acid?
The InChIKey is JQBNNMCHGQAKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O2/c4-3(1-2(9)10)5-7-8-6-3/h1,4H2,(H,9,10).
What are the key properties of 2-(5-aminotetrazol-5-yl)acetic acid?
2-(5-aminotetrazol-5-yl)acetic acid has a molecular weight of 143.11 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-5-yl)acetic acid is sourced from PubChem (CID 21446547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).