5-ethyl-2-hydroxytetrazole

C3H6N4O — CID 121263576

IUPAC5-ethyl-2-hydroxytetrazole
SMILESCCc1nnn(O)n1
InChIInChI=1S/C3H6N4O/c1-2-3-4-6-7(8)5-3/h8H,2H2,1H3
InChIKeyRIUKISHZMVVCSR-UHFFFAOYSA-N
MW114.11 g/mol
LogP-0.53
Rot. Bonds1

About 5-ethyl-2-hydroxytetrazole

5-ethyl-2-hydroxytetrazole (PubChem CID 121263576) has the molecular formula C3H6N4O and a molecular weight of 114.11 g/mol. Its IUPAC name is 5-ethyl-2-hydroxytetrazole.

Molecular Properties

Compound Name5-ethyl-2-hydroxytetrazole
PubChem CID121263576
Molecular FormulaC3H6N4O
Molecular Weight114.11 g/mol
Exact Mass114.05
IUPAC Name5-ethyl-2-hydroxytetrazole
SMILESCCc1nnn(O)n1
InChIInChI=1S/C3H6N4O/c1-2-3-4-6-7(8)5-3/h8H,2H2,1H3
InChIKeyRIUKISHZMVVCSR-UHFFFAOYSA-N
XLogP-0.53
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.11
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-hydroxytetrazole?
The IUPAC name of 5-ethyl-2-hydroxytetrazole (CID 121263576) is 5-ethyl-2-hydroxytetrazole.
What is the SMILES notation for 5-ethyl-2-hydroxytetrazole?
The canonical SMILES for 5-ethyl-2-hydroxytetrazole is CCc1nnn(O)n1.
What is the InChIKey of 5-ethyl-2-hydroxytetrazole?
The InChIKey is RIUKISHZMVVCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O/c1-2-3-4-6-7(8)5-3/h8H,2H2,1H3.
What are the key properties of 5-ethyl-2-hydroxytetrazole?
5-ethyl-2-hydroxytetrazole has a molecular weight of 114.11 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-hydroxytetrazole is sourced from PubChem (CID 121263576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).