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

C10H10N4O2 — CID 14711269

IUPAC2-(5-benzyltetrazol-1-yl)acetic acid
SMILESO=C(O)Cn1nnnc1Cc1ccccc1
InChIInChI=1S/C10H10N4O2/c15-10(16)7-14-9(11-12-13-14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyIAXOHHVWAUBMFF-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.35
Rot. Bonds4

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

2-(5-benzyltetrazol-1-yl)acetic acid (PubChem CID 14711269) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(5-benzyltetrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-benzyltetrazol-1-yl)acetic acid
PubChem CID14711269
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-(5-benzyltetrazol-1-yl)acetic acid
SMILESO=C(O)Cn1nnnc1Cc1ccccc1
InChIInChI=1S/C10H10N4O2/c15-10(16)7-14-9(11-12-13-14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyIAXOHHVWAUBMFF-UHFFFAOYSA-N
XLogP0.35
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyltetrazol-1-yl)acetic acid?
The IUPAC name of 2-(5-benzyltetrazol-1-yl)acetic acid (CID 14711269) is 2-(5-benzyltetrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-benzyltetrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-benzyltetrazol-1-yl)acetic acid is O=C(O)Cn1nnnc1Cc1ccccc1.
What is the InChIKey of 2-(5-benzyltetrazol-1-yl)acetic acid?
The InChIKey is IAXOHHVWAUBMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(16)7-14-9(11-12-13-14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16).
What are the key properties of 2-(5-benzyltetrazol-1-yl)acetic acid?
2-(5-benzyltetrazol-1-yl)acetic acid has a molecular weight of 218.22 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyltetrazol-1-yl)acetic acid is sourced from PubChem (CID 14711269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).