2-hydroxy-5-methyltetrazole

C2H4N4O — CID 67593745

IUPAC2-hydroxy-5-methyltetrazole
SMILESCc1nnn(O)n1
InChIInChI=1S/C2H4N4O/c1-2-3-5-6(7)4-2/h7H,1H3
InChIKeyXGAZCNMBQCNPFW-UHFFFAOYSA-N
MW100.08 g/mol
LogP-0.78
Rot. Bonds

About 2-hydroxy-5-methyltetrazole

2-hydroxy-5-methyltetrazole (PubChem CID 67593745) has the molecular formula C2H4N4O and a molecular weight of 100.08 g/mol. Its IUPAC name is 2-hydroxy-5-methyltetrazole.

Molecular Properties

Compound Name2-hydroxy-5-methyltetrazole
PubChem CID67593745
Molecular FormulaC2H4N4O
Molecular Weight100.08 g/mol
Exact Mass100.04
IUPAC Name2-hydroxy-5-methyltetrazole
SMILESCc1nnn(O)n1
InChIInChI=1S/C2H4N4O/c1-2-3-5-6(7)4-2/h7H,1H3
InChIKeyXGAZCNMBQCNPFW-UHFFFAOYSA-N
XLogP-0.78
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.08
LogP ≤ 5-0.78
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 2-hydroxy-5-methyltetrazole?
The IUPAC name of 2-hydroxy-5-methyltetrazole (CID 67593745) is 2-hydroxy-5-methyltetrazole.
What is the SMILES notation for 2-hydroxy-5-methyltetrazole?
The canonical SMILES for 2-hydroxy-5-methyltetrazole is Cc1nnn(O)n1.
What is the InChIKey of 2-hydroxy-5-methyltetrazole?
The InChIKey is XGAZCNMBQCNPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4O/c1-2-3-5-6(7)4-2/h7H,1H3.
What are the key properties of 2-hydroxy-5-methyltetrazole?
2-hydroxy-5-methyltetrazole has a molecular weight of 100.08 g/mol, XLogP of -0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyltetrazole is sourced from PubChem (CID 67593745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).