5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole

C3H2N10O — CID 136877105

IUPAC5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole
SMILES[N-]=[N+]=Nc1nc(-c2nnnn2O)n[nH]1
InChIInChI=1S/C3H2N10O/c4-10-9-3-5-1(6-8-3)2-7-11-12-13(2)14/h14H,(H,5,6,8)
InChIKeyMDADUSROCJALSH-UHFFFAOYSA-N
MW194.12 g/mol
LogP-0.36
Rot. Bonds2

About 5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole

5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole (PubChem CID 136877105) has the molecular formula C3H2N10O and a molecular weight of 194.12 g/mol. Its IUPAC name is 5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole.

Molecular Properties

Compound Name5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole
PubChem CID136877105
Molecular FormulaC3H2N10O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole
SMILES[N-]=[N+]=Nc1nc(-c2nnnn2O)n[nH]1
InChIInChI=1S/C3H2N10O/c4-10-9-3-5-1(6-8-3)2-7-11-12-13(2)14/h14H,(H,5,6,8)
InChIKeyMDADUSROCJALSH-UHFFFAOYSA-N
XLogP-0.36
TPSA154.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole?
The IUPAC name of 5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole (CID 136877105) is 5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole.
What is the SMILES notation for 5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole?
The canonical SMILES for 5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole is [N-]=[N+]=Nc1nc(-c2nnnn2O)n[nH]1.
What is the InChIKey of 5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole?
The InChIKey is MDADUSROCJALSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N10O/c4-10-9-3-5-1(6-8-3)2-7-11-12-13(2)14/h14H,(H,5,6,8).
What are the key properties of 5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole?
5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole has a molecular weight of 194.12 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-azido-1H-1,2,4-triazol-3-yl)-1-hydroxytetrazole is sourced from PubChem (CID 136877105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).