4-(5-methyltetrazol-1-yl)butanoic acid

C6H10N4O2 — CID 12806313

IUPAC4-(5-methyltetrazol-1-yl)butanoic acid
SMILESCc1nnnn1CCCC(=O)O
InChIInChI=1S/C6H10N4O2/c1-5-7-8-9-10(5)4-2-3-6(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyJSAALDXJEDSLQL-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.15
Rot. Bonds4

About 4-(5-methyltetrazol-1-yl)butanoic acid

4-(5-methyltetrazol-1-yl)butanoic acid (PubChem CID 12806313) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-(5-methyltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-methyltetrazol-1-yl)butanoic acid
PubChem CID12806313
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name4-(5-methyltetrazol-1-yl)butanoic acid
SMILESCc1nnnn1CCCC(=O)O
InChIInChI=1S/C6H10N4O2/c1-5-7-8-9-10(5)4-2-3-6(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyJSAALDXJEDSLQL-UHFFFAOYSA-N
XLogP-0.15
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyltetrazol-1-yl)butanoic acid?
The IUPAC name of 4-(5-methyltetrazol-1-yl)butanoic acid (CID 12806313) is 4-(5-methyltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(5-methyltetrazol-1-yl)butanoic acid?
The canonical SMILES for 4-(5-methyltetrazol-1-yl)butanoic acid is Cc1nnnn1CCCC(=O)O.
What is the InChIKey of 4-(5-methyltetrazol-1-yl)butanoic acid?
The InChIKey is JSAALDXJEDSLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-5-7-8-9-10(5)4-2-3-6(11)12/h2-4H2,1H3,(H,11,12).
What are the key properties of 4-(5-methyltetrazol-1-yl)butanoic acid?
4-(5-methyltetrazol-1-yl)butanoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 12806313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).