1-hydroxy-5-methyltetrazole

C2H4N4O — CID 13223279

IUPAC1-hydroxy-5-methyltetrazole
SMILESCc1nnnn1O
InChIInChI=1S/C2H4N4O/c1-2-3-4-5-6(2)7/h7H,1H3
InChIKeyMEQTVUGIYRHIHX-UHFFFAOYSA-N
MW100.08 g/mol
LogP-0.78
Rot. Bonds

About 1-hydroxy-5-methyltetrazole

1-hydroxy-5-methyltetrazole (PubChem CID 13223279) has the molecular formula C2H4N4O and a molecular weight of 100.08 g/mol. Its IUPAC name is 1-hydroxy-5-methyltetrazole.

Molecular Properties

Compound Name1-hydroxy-5-methyltetrazole
PubChem CID13223279
Molecular FormulaC2H4N4O
Molecular Weight100.08 g/mol
Exact Mass100.04
IUPAC Name1-hydroxy-5-methyltetrazole
SMILESCc1nnnn1O
InChIInChI=1S/C2H4N4O/c1-2-3-4-5-6(2)7/h7H,1H3
InChIKeyMEQTVUGIYRHIHX-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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Related Compounds

N-hydroxy-ethyltetrazole
CID 129723902
Sodium;5-methyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;dihydrate
CID 139152544
4-Methyl-1,2,3,5-oxatriazole
CID 21132005
2-Hydroxy-5-methyltetrazole
CID 67593745
5-Ethyl-2-hydroxytetrazole
CID 121263576
4-Ethyl-1,2,3,5-oxatriazole
CID 142243302
1-Hydroxy-5-propan-2-yltetrazole
CID 167258058
5-Methyl-1-oxidotetrazole
CID 13223278
1-Methoxy-5-methyl-1H-tetrazole
CID 13223280
5-Methyl-2-nitrosotetrazole
CID 102424679
2-Methoxy-5-methyltetrazole
CID 169203903

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methyltetrazole?
The IUPAC name of 1-hydroxy-5-methyltetrazole (CID 13223279) is 1-hydroxy-5-methyltetrazole.
What is the SMILES notation for 1-hydroxy-5-methyltetrazole?
The canonical SMILES for 1-hydroxy-5-methyltetrazole is Cc1nnnn1O.
What is the InChIKey of 1-hydroxy-5-methyltetrazole?
The InChIKey is MEQTVUGIYRHIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4O/c1-2-3-4-5-6(2)7/h7H,1H3.
What are the key properties of 1-hydroxy-5-methyltetrazole?
1-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 1-hydroxy-5-methyltetrazole is sourced from PubChem (CID 13223279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).