4-(tetrazol-1-yl)butanoic acid;hydrochloride

C5H9ClN4O2 — CID 70410058

IUPAC4-(tetrazol-1-yl)butanoic acid;hydrochloride
SMILESCl.O=C(O)CCCn1cnnn1
InChIInChI=1S/C5H8N4O2.ClH/c10-5(11)2-1-3-9-4-6-7-8-9;/h4H,1-3H2,(H,10,11);1H
InChIKeyDTHZSWSNDSEJAJ-UHFFFAOYSA-N
MW192.61 g/mol
LogP-0.04
Rot. Bonds4

About 4-(tetrazol-1-yl)butanoic acid;hydrochloride

4-(tetrazol-1-yl)butanoic acid;hydrochloride (PubChem CID 70410058) has the molecular formula C5H9ClN4O2 and a molecular weight of 192.61 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(tetrazol-1-yl)butanoic acid;hydrochloride
PubChem CID70410058
Molecular FormulaC5H9ClN4O2
Molecular Weight192.61 g/mol
Exact Mass192.04
IUPAC Name4-(tetrazol-1-yl)butanoic acid;hydrochloride
SMILESCl.O=C(O)CCCn1cnnn1
InChIInChI=1S/C5H8N4O2.ClH/c10-5(11)2-1-3-9-4-6-7-8-9;/h4H,1-3H2,(H,10,11);1H
InChIKeyDTHZSWSNDSEJAJ-UHFFFAOYSA-N
XLogP-0.04
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)butanoic acid;hydrochloride?
The IUPAC name of 4-(tetrazol-1-yl)butanoic acid;hydrochloride (CID 70410058) is 4-(tetrazol-1-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 4-(tetrazol-1-yl)butanoic acid;hydrochloride?
The canonical SMILES for 4-(tetrazol-1-yl)butanoic acid;hydrochloride is Cl.O=C(O)CCCn1cnnn1.
What is the InChIKey of 4-(tetrazol-1-yl)butanoic acid;hydrochloride?
The InChIKey is DTHZSWSNDSEJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2.ClH/c10-5(11)2-1-3-9-4-6-7-8-9;/h4H,1-3H2,(H,10,11);1H.
What are the key properties of 4-(tetrazol-1-yl)butanoic acid;hydrochloride?
4-(tetrazol-1-yl)butanoic acid;hydrochloride has a molecular weight of 192.61 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 70410058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).