6-nitrotetrazolo[1,5-a]pyrimidine

C4H2N6O2 — CID 15325484

IUPAC6-nitrotetrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cnc2nnnn2c1
InChIInChI=1S/C4H2N6O2/c11-10(12)3-1-5-4-6-7-8-9(4)2-3/h1-2H
InChIKeyBDNQRHWIAMZWQK-UHFFFAOYSA-N
MW166.10 g/mol
LogP-0.57
Rot. Bonds1

About 6-nitrotetrazolo[1,5-a]pyrimidine

6-nitrotetrazolo[1,5-a]pyrimidine (PubChem CID 15325484) has the molecular formula C4H2N6O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is 6-nitrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-nitrotetrazolo[1,5-a]pyrimidine
PubChem CID15325484
Molecular FormulaC4H2N6O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name6-nitrotetrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cnc2nnnn2c1
InChIInChI=1S/C4H2N6O2/c11-10(12)3-1-5-4-6-7-8-9(4)2-3/h1-2H
InChIKeyBDNQRHWIAMZWQK-UHFFFAOYSA-N
XLogP-0.57
TPSA99.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-nitrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-nitrotetrazolo[1,5-a]pyrimidine (CID 15325484) is 6-nitrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-nitrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-nitrotetrazolo[1,5-a]pyrimidine is O=[N+]([O-])c1cnc2nnnn2c1.
What is the InChIKey of 6-nitrotetrazolo[1,5-a]pyrimidine?
The InChIKey is BDNQRHWIAMZWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N6O2/c11-10(12)3-1-5-4-6-7-8-9(4)2-3/h1-2H.
What are the key properties of 6-nitrotetrazolo[1,5-a]pyrimidine?
6-nitrotetrazolo[1,5-a]pyrimidine has a molecular weight of 166.10 g/mol, XLogP of -0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15325484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).