2-(tetrazol-1-yl)pentanoic acid

C6H10N4O2 — CID 6484159

IUPAC2-(tetrazol-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)n1cnnn1
InChIInChI=1S/C6H10N4O2/c1-2-3-5(6(11)12)10-4-7-8-9-10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyNRJPIUHZDFFIPQ-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.10
Rot. Bonds4

About 2-(tetrazol-1-yl)pentanoic acid

2-(tetrazol-1-yl)pentanoic acid (PubChem CID 6484159) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(tetrazol-1-yl)pentanoic acid
PubChem CID6484159
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-(tetrazol-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)n1cnnn1
InChIInChI=1S/C6H10N4O2/c1-2-3-5(6(11)12)10-4-7-8-9-10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyNRJPIUHZDFFIPQ-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)pentanoic acid?
The IUPAC name of 2-(tetrazol-1-yl)pentanoic acid (CID 6484159) is 2-(tetrazol-1-yl)pentanoic acid.
What is the SMILES notation for 2-(tetrazol-1-yl)pentanoic acid?
The canonical SMILES for 2-(tetrazol-1-yl)pentanoic acid is CCCC(C(=O)O)n1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)pentanoic acid?
The InChIKey is NRJPIUHZDFFIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-2-3-5(6(11)12)10-4-7-8-9-10/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(tetrazol-1-yl)pentanoic acid?
2-(tetrazol-1-yl)pentanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)pentanoic acid is sourced from PubChem (CID 6484159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).