2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid

C10H10N4O2 — CID 3155251

IUPAC2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid
SMILESCc1nnnn1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C10H10N4O2/c1-7-11-12-13-14(7)9-4-2-8(3-5-9)6-10(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyJFLVCYOJCVLGDE-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.60
Rot. Bonds3

About 2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid

2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid (PubChem CID 3155251) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid
PubChem CID3155251
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid
SMILESCc1nnnn1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C10H10N4O2/c1-7-11-12-13-14(7)9-4-2-8(3-5-9)6-10(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyJFLVCYOJCVLGDE-UHFFFAOYSA-N
XLogP0.60
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid (CID 3155251) is 2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid is Cc1nnnn1-c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid?
The InChIKey is JFLVCYOJCVLGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-11-12-13-14(7)9-4-2-8(3-5-9)6-10(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid?
2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid has a molecular weight of 218.22 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyltetrazol-1-yl)phenyl]acetic acid is sourced from PubChem (CID 3155251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).