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

C4H6N4O2 — CID 5077792

IUPAC2-(5-methyltetrazol-1-yl)acetic acid
SMILESCc1nnnn1CC(=O)O
InChIInChI=1S/C4H6N4O2/c1-3-5-6-7-8(3)2-4(9)10/h2H2,1H3,(H,9,10)
InChIKeyQMGRTPHVXPNNBK-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.93
Rot. Bonds2

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

2-(5-methyltetrazol-1-yl)acetic acid (PubChem CID 5077792) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 2-(5-methyltetrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyltetrazol-1-yl)acetic acid
PubChem CID5077792
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name2-(5-methyltetrazol-1-yl)acetic acid
SMILESCc1nnnn1CC(=O)O
InChIInChI=1S/C4H6N4O2/c1-3-5-6-7-8(3)2-4(9)10/h2H2,1H3,(H,9,10)
InChIKeyQMGRTPHVXPNNBK-UHFFFAOYSA-N
XLogP-0.93
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltetrazol-1-yl)acetic acid?
The IUPAC name of 2-(5-methyltetrazol-1-yl)acetic acid (CID 5077792) is 2-(5-methyltetrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-methyltetrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-methyltetrazol-1-yl)acetic acid is Cc1nnnn1CC(=O)O.
What is the InChIKey of 2-(5-methyltetrazol-1-yl)acetic acid?
The InChIKey is QMGRTPHVXPNNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-3-5-6-7-8(3)2-4(9)10/h2H2,1H3,(H,9,10).
What are the key properties of 2-(5-methyltetrazol-1-yl)acetic acid?
2-(5-methyltetrazol-1-yl)acetic acid has a molecular weight of 142.12 g/mol, XLogP of -0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltetrazol-1-yl)acetic acid is sourced from PubChem (CID 5077792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).