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

C5H8N4O2 — CID 12914291

IUPAC2-(1-ethyltetrazol-5-yl)acetic acid
SMILESCCn1nnnc1CC(=O)O
InChIInChI=1S/C5H8N4O2/c1-2-9-4(3-5(10)11)6-7-8-9/h2-3H2,1H3,(H,10,11)
InChIKeyMPLGHYXPFIWAIC-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.68
Rot. Bonds3

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

2-(1-ethyltetrazol-5-yl)acetic acid (PubChem CID 12914291) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)acetic acid
PubChem CID12914291
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name2-(1-ethyltetrazol-5-yl)acetic acid
SMILESCCn1nnnc1CC(=O)O
InChIInChI=1S/C5H8N4O2/c1-2-9-4(3-5(10)11)6-7-8-9/h2-3H2,1H3,(H,10,11)
InChIKeyMPLGHYXPFIWAIC-UHFFFAOYSA-N
XLogP-0.68
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)acetic acid?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)acetic acid (CID 12914291) is 2-(1-ethyltetrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)acetic acid?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)acetic acid is CCn1nnnc1CC(=O)O.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)acetic acid?
The InChIKey is MPLGHYXPFIWAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-2-9-4(3-5(10)11)6-7-8-9/h2-3H2,1H3,(H,10,11).
What are the key properties of 2-(1-ethyltetrazol-5-yl)acetic acid?
2-(1-ethyltetrazol-5-yl)acetic acid has a molecular weight of 156.14 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)acetic acid is sourced from PubChem (CID 12914291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).