2,4,6-triazido-5-(azidomethyl)pyrimidine

C5H2N14 — CID 101427141

IUPAC2,4,6-triazido-5-(azidomethyl)pyrimidine
SMILES[N-]=[N+]=NCc1c(N=[N+]=[N-])nc(N=[N+]=[N-])nc1N=[N+]=[N-]
InChIInChI=1S/C5H2N14/c6-16-10-1-2-3(13-17-7)11-5(15-19-9)12-4(2)14-18-8/h1H2
InChIKeyCGAYWJBIGBQLEQ-UHFFFAOYSA-N
MW258.17 g/mol
LogP4.11
Rot. Bonds5

About 2,4,6-triazido-5-(azidomethyl)pyrimidine

2,4,6-triazido-5-(azidomethyl)pyrimidine (PubChem CID 101427141) has the molecular formula C5H2N14 and a molecular weight of 258.17 g/mol. Its IUPAC name is 2,4,6-triazido-5-(azidomethyl)pyrimidine.

Molecular Properties

Compound Name2,4,6-triazido-5-(azidomethyl)pyrimidine
PubChem CID101427141
Molecular FormulaC5H2N14
Molecular Weight258.17 g/mol
Exact Mass258.06
IUPAC Name2,4,6-triazido-5-(azidomethyl)pyrimidine
SMILES[N-]=[N+]=NCc1c(N=[N+]=[N-])nc(N=[N+]=[N-])nc1N=[N+]=[N-]
InChIInChI=1S/C5H2N14/c6-16-10-1-2-3(13-17-7)11-5(15-19-9)12-4(2)14-18-8/h1H2
InChIKeyCGAYWJBIGBQLEQ-UHFFFAOYSA-N
XLogP4.11
TPSA220.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2,4,6-triazido-5-(azidomethyl)pyrimidine?
The IUPAC name of 2,4,6-triazido-5-(azidomethyl)pyrimidine (CID 101427141) is 2,4,6-triazido-5-(azidomethyl)pyrimidine.
What is the SMILES notation for 2,4,6-triazido-5-(azidomethyl)pyrimidine?
The canonical SMILES for 2,4,6-triazido-5-(azidomethyl)pyrimidine is [N-]=[N+]=NCc1c(N=[N+]=[N-])nc(N=[N+]=[N-])nc1N=[N+]=[N-].
What is the InChIKey of 2,4,6-triazido-5-(azidomethyl)pyrimidine?
The InChIKey is CGAYWJBIGBQLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N14/c6-16-10-1-2-3(13-17-7)11-5(15-19-9)12-4(2)14-18-8/h1H2.
What are the key properties of 2,4,6-triazido-5-(azidomethyl)pyrimidine?
2,4,6-triazido-5-(azidomethyl)pyrimidine has a molecular weight of 258.17 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triazido-5-(azidomethyl)pyrimidine is sourced from PubChem (CID 101427141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).