3-(1-propyltetrazol-5-yl)propanoic acid

C7H12N4O2 — CID 83636407

IUPAC3-(1-propyltetrazol-5-yl)propanoic acid
SMILESCCCn1nnnc1CCC(=O)O
InChIInChI=1S/C7H12N4O2/c1-2-5-11-6(8-9-10-11)3-4-7(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyXKYJGFRHVXXZCI-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.10
Rot. Bonds5

About 3-(1-propyltetrazol-5-yl)propanoic acid

3-(1-propyltetrazol-5-yl)propanoic acid (PubChem CID 83636407) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-(1-propyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-propyltetrazol-5-yl)propanoic acid
PubChem CID83636407
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-(1-propyltetrazol-5-yl)propanoic acid
SMILESCCCn1nnnc1CCC(=O)O
InChIInChI=1S/C7H12N4O2/c1-2-5-11-6(8-9-10-11)3-4-7(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyXKYJGFRHVXXZCI-UHFFFAOYSA-N
XLogP0.10
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propyltetrazol-5-yl)propanoic acid?
The IUPAC name of 3-(1-propyltetrazol-5-yl)propanoic acid (CID 83636407) is 3-(1-propyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(1-propyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 3-(1-propyltetrazol-5-yl)propanoic acid is CCCn1nnnc1CCC(=O)O.
What is the InChIKey of 3-(1-propyltetrazol-5-yl)propanoic acid?
The InChIKey is XKYJGFRHVXXZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-2-5-11-6(8-9-10-11)3-4-7(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 3-(1-propyltetrazol-5-yl)propanoic acid?
3-(1-propyltetrazol-5-yl)propanoic acid has a molecular weight of 184.20 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 83636407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).