1-hydroxy-5-propan-2-yltetrazole

C4H8N4O — CID 167258058

IUPAC1-hydroxy-5-propan-2-yltetrazole
SMILESCC(C)c1nnnn1O
InChIInChI=1S/C4H8N4O/c1-3(2)4-5-6-7-8(4)9/h3,9H,1-2H3
InChIKeyGRPUILVTOIHWEL-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.03
Rot. Bonds1

About 1-hydroxy-5-propan-2-yltetrazole

1-hydroxy-5-propan-2-yltetrazole (PubChem CID 167258058) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 1-hydroxy-5-propan-2-yltetrazole.

Molecular Properties

Compound Name1-hydroxy-5-propan-2-yltetrazole
PubChem CID167258058
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name1-hydroxy-5-propan-2-yltetrazole
SMILESCC(C)c1nnnn1O
InChIInChI=1S/C4H8N4O/c1-3(2)4-5-6-7-8(4)9/h3,9H,1-2H3
InChIKeyGRPUILVTOIHWEL-UHFFFAOYSA-N
XLogP0.03
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.03
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 1-hydroxy-5-propan-2-yltetrazole?
The IUPAC name of 1-hydroxy-5-propan-2-yltetrazole (CID 167258058) is 1-hydroxy-5-propan-2-yltetrazole.
What is the SMILES notation for 1-hydroxy-5-propan-2-yltetrazole?
The canonical SMILES for 1-hydroxy-5-propan-2-yltetrazole is CC(C)c1nnnn1O.
What is the InChIKey of 1-hydroxy-5-propan-2-yltetrazole?
The InChIKey is GRPUILVTOIHWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-3(2)4-5-6-7-8(4)9/h3,9H,1-2H3.
What are the key properties of 1-hydroxy-5-propan-2-yltetrazole?
1-hydroxy-5-propan-2-yltetrazole has a molecular weight of 128.13 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-propan-2-yltetrazole is sourced from PubChem (CID 167258058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).