4-azido-3,6-dimethylpyridazine

C6H7N5 — CID 14792124

IUPAC4-azido-3,6-dimethylpyridazine
SMILESCc1cc(N=[N+]=[N-])c(C)nn1
InChIInChI=1S/C6H7N5/c1-4-3-6(10-11-7)5(2)9-8-4/h3H,1-2H3
InChIKeyHSIBYIKXNMNYFG-UHFFFAOYSA-N
MW149.16 g/mol
LogP2.04
Rot. Bonds1

About 4-azido-3,6-dimethylpyridazine

4-azido-3,6-dimethylpyridazine (PubChem CID 14792124) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 4-azido-3,6-dimethylpyridazine.

Molecular Properties

Compound Name4-azido-3,6-dimethylpyridazine
PubChem CID14792124
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name4-azido-3,6-dimethylpyridazine
SMILESCc1cc(N=[N+]=[N-])c(C)nn1
InChIInChI=1S/C6H7N5/c1-4-3-6(10-11-7)5(2)9-8-4/h3H,1-2H3
InChIKeyHSIBYIKXNMNYFG-UHFFFAOYSA-N
XLogP2.04
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-3,6-dimethylpyridazine?
The IUPAC name of 4-azido-3,6-dimethylpyridazine (CID 14792124) is 4-azido-3,6-dimethylpyridazine.
What is the SMILES notation for 4-azido-3,6-dimethylpyridazine?
The canonical SMILES for 4-azido-3,6-dimethylpyridazine is Cc1cc(N=[N+]=[N-])c(C)nn1.
What is the InChIKey of 4-azido-3,6-dimethylpyridazine?
The InChIKey is HSIBYIKXNMNYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-4-3-6(10-11-7)5(2)9-8-4/h3H,1-2H3.
What are the key properties of 4-azido-3,6-dimethylpyridazine?
4-azido-3,6-dimethylpyridazine has a molecular weight of 149.16 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-3,6-dimethylpyridazine is sourced from PubChem (CID 14792124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).