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

C9H16N4O2 — CID 13103364

IUPAC4-(5-butyltetrazol-1-yl)butanoic acid
SMILESCCCCc1nnnn1CCCC(=O)O
InChIInChI=1S/C9H16N4O2/c1-2-3-5-8-10-11-12-13(8)7-4-6-9(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyCBNBCJKHFCJAKA-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.88
Rot. Bonds7

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

4-(5-butyltetrazol-1-yl)butanoic acid (PubChem CID 13103364) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(5-butyltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-butyltetrazol-1-yl)butanoic acid
PubChem CID13103364
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-(5-butyltetrazol-1-yl)butanoic acid
SMILESCCCCc1nnnn1CCCC(=O)O
InChIInChI=1S/C9H16N4O2/c1-2-3-5-8-10-11-12-13(8)7-4-6-9(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyCBNBCJKHFCJAKA-UHFFFAOYSA-N
XLogP0.88
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-butyltetrazol-1-yl)butanoic acid?
The IUPAC name of 4-(5-butyltetrazol-1-yl)butanoic acid (CID 13103364) is 4-(5-butyltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(5-butyltetrazol-1-yl)butanoic acid?
The canonical SMILES for 4-(5-butyltetrazol-1-yl)butanoic acid is CCCCc1nnnn1CCCC(=O)O.
What is the InChIKey of 4-(5-butyltetrazol-1-yl)butanoic acid?
The InChIKey is CBNBCJKHFCJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-3-5-8-10-11-12-13(8)7-4-6-9(14)15/h2-7H2,1H3,(H,14,15).
What are the key properties of 4-(5-butyltetrazol-1-yl)butanoic acid?
4-(5-butyltetrazol-1-yl)butanoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-butyltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 13103364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).