4-(2H-tetrazol-5-yl)pentanoic acid

C6H10N4O2 — CID 76812902

IUPAC4-(2H-tetrazol-5-yl)pentanoic acid
SMILESCC(CCC(=O)O)c1nn[nH]n1
InChIInChI=1S/C6H10N4O2/c1-4(2-3-5(11)12)6-7-9-10-8-6/h4H,2-3H2,1H3,(H,11,12)(H,7,8,9,10)
InChIKeyCVZZASDFCQGBHL-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.17
Rot. Bonds4

About 4-(2H-tetrazol-5-yl)pentanoic acid

4-(2H-tetrazol-5-yl)pentanoic acid (PubChem CID 76812902) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)pentanoic acid
PubChem CID76812902
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name4-(2H-tetrazol-5-yl)pentanoic acid
SMILESCC(CCC(=O)O)c1nn[nH]n1
InChIInChI=1S/C6H10N4O2/c1-4(2-3-5(11)12)6-7-9-10-8-6/h4H,2-3H2,1H3,(H,11,12)(H,7,8,9,10)
InChIKeyCVZZASDFCQGBHL-UHFFFAOYSA-N
XLogP0.17
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-yl)pentanoic acid?
The IUPAC name of 4-(2H-tetrazol-5-yl)pentanoic acid (CID 76812902) is 4-(2H-tetrazol-5-yl)pentanoic acid.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)pentanoic acid?
The canonical SMILES for 4-(2H-tetrazol-5-yl)pentanoic acid is CC(CCC(=O)O)c1nn[nH]n1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)pentanoic acid?
The InChIKey is CVZZASDFCQGBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(2-3-5(11)12)6-7-9-10-8-6/h4H,2-3H2,1H3,(H,11,12)(H,7,8,9,10).
What are the key properties of 4-(2H-tetrazol-5-yl)pentanoic acid?
4-(2H-tetrazol-5-yl)pentanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yl)pentanoic acid is sourced from PubChem (CID 76812902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).