2,4-diazido-6-(diazomethyl)-1,3,5-triazine

C4HN11 — CID 101431012

IUPAC2,4-diazido-6-(diazomethyl)-1,3,5-triazine
SMILES[N-]=[N+]=Cc1nc(N=[N+]=[N-])nc(N=[N+]=[N-])n1
InChIInChI=1S/C4HN11/c5-8-1-2-9-3(12-14-6)11-4(10-2)13-15-7/h1H
InChIKeyUAFITQZMMDLTGB-UHFFFAOYSA-N
MW203.13 g/mol
LogP1.40
Rot. Bonds3

About 2,4-diazido-6-(diazomethyl)-1,3,5-triazine

2,4-diazido-6-(diazomethyl)-1,3,5-triazine (PubChem CID 101431012) has the molecular formula C4HN11 and a molecular weight of 203.13 g/mol. Its IUPAC name is 2,4-diazido-6-(diazomethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diazido-6-(diazomethyl)-1,3,5-triazine
PubChem CID101431012
Molecular FormulaC4HN11
Molecular Weight203.13 g/mol
Exact Mass203.04
IUPAC Name2,4-diazido-6-(diazomethyl)-1,3,5-triazine
SMILES[N-]=[N+]=Cc1nc(N=[N+]=[N-])nc(N=[N+]=[N-])n1
InChIInChI=1S/C4HN11/c5-8-1-2-9-3(12-14-6)11-4(10-2)13-15-7/h1H
InChIKeyUAFITQZMMDLTGB-UHFFFAOYSA-N
XLogP1.40
TPSA172.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diazido-6-(diazomethyl)-1,3,5-triazine?
The IUPAC name of 2,4-diazido-6-(diazomethyl)-1,3,5-triazine (CID 101431012) is 2,4-diazido-6-(diazomethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diazido-6-(diazomethyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diazido-6-(diazomethyl)-1,3,5-triazine is [N-]=[N+]=Cc1nc(N=[N+]=[N-])nc(N=[N+]=[N-])n1.
What is the InChIKey of 2,4-diazido-6-(diazomethyl)-1,3,5-triazine?
The InChIKey is UAFITQZMMDLTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HN11/c5-8-1-2-9-3(12-14-6)11-4(10-2)13-15-7/h1H.
What are the key properties of 2,4-diazido-6-(diazomethyl)-1,3,5-triazine?
2,4-diazido-6-(diazomethyl)-1,3,5-triazine has a molecular weight of 203.13 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazido-6-(diazomethyl)-1,3,5-triazine is sourced from PubChem (CID 101431012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).