1,3,5-triazine-2-carbonyl azide

C4H2N6O — CID 90757346

IUPAC1,3,5-triazine-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ncncn1
InChIInChI=1S/C4H2N6O/c5-10-9-4(11)3-7-1-6-2-8-3/h1-2H
InChIKeyZJAJVHFNCOQNQX-UHFFFAOYSA-N
MW150.10 g/mol
LogP0.32
Rot. Bonds1

About 1,3,5-triazine-2-carbonyl azide

1,3,5-triazine-2-carbonyl azide (PubChem CID 90757346) has the molecular formula C4H2N6O and a molecular weight of 150.10 g/mol. Its IUPAC name is 1,3,5-triazine-2-carbonyl azide.

Molecular Properties

Compound Name1,3,5-triazine-2-carbonyl azide
PubChem CID90757346
Molecular FormulaC4H2N6O
Molecular Weight150.10 g/mol
Exact Mass150.03
IUPAC Name1,3,5-triazine-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ncncn1
InChIInChI=1S/C4H2N6O/c5-10-9-4(11)3-7-1-6-2-8-3/h1-2H
InChIKeyZJAJVHFNCOQNQX-UHFFFAOYSA-N
XLogP0.32
TPSA104.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

2-Carbamoyl-sym-triazine
CID 54264822
1,3,5-Triazine-2-carbohydrazide
CID 21537408
N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide
CID 57221905
N-methyl-1,3,5-triazine-2-carboxamide
CID 67979738
4-(Dimethylamino)-1,3,5-triazine-2-carboxamide
CID 68499221
4-Methyl-1,3,5-triazine-2-carboxamide
CID 89902814
1,3,5-Triazine-2-carboxamide;hydrochloride
CID 174617554

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2-carbonyl azide?
The IUPAC name of 1,3,5-triazine-2-carbonyl azide (CID 90757346) is 1,3,5-triazine-2-carbonyl azide.
What is the SMILES notation for 1,3,5-triazine-2-carbonyl azide?
The canonical SMILES for 1,3,5-triazine-2-carbonyl azide is [N-]=[N+]=NC(=O)c1ncncn1.
What is the InChIKey of 1,3,5-triazine-2-carbonyl azide?
The InChIKey is ZJAJVHFNCOQNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N6O/c5-10-9-4(11)3-7-1-6-2-8-3/h1-2H.
What are the key properties of 1,3,5-triazine-2-carbonyl azide?
1,3,5-triazine-2-carbonyl azide has a molecular weight of 150.10 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2-carbonyl azide is sourced from PubChem (CID 90757346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).