3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine

C6H4N8O4 — CID 175584843

IUPAC3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine
SMILESO=[N+]([O-])c1cnc(Nc2nn[nH]n2)c([N+](=O)[O-])c1
InChIInChI=1S/C6H4N8O4/c15-13(16)3-1-4(14(17)18)5(7-2-3)8-6-9-11-12-10-6/h1-2H,(H2,7,8,9,10,11,12)
InChIKeyDHQJBBASJBHPOY-UHFFFAOYSA-N
MW252.15 g/mol
LogP0.15
Rot. Bonds4

About 3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine

3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine (PubChem CID 175584843) has the molecular formula C6H4N8O4 and a molecular weight of 252.15 g/mol. Its IUPAC name is 3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine
PubChem CID175584843
Molecular FormulaC6H4N8O4
Molecular Weight252.15 g/mol
Exact Mass252.04
IUPAC Name3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine
SMILESO=[N+]([O-])c1cnc(Nc2nn[nH]n2)c([N+](=O)[O-])c1
InChIInChI=1S/C6H4N8O4/c15-13(16)3-1-4(14(17)18)5(7-2-3)8-6-9-11-12-10-6/h1-2H,(H2,7,8,9,10,11,12)
InChIKeyDHQJBBASJBHPOY-UHFFFAOYSA-N
XLogP0.15
TPSA165.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine?
The IUPAC name of 3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine (CID 175584843) is 3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine is O=[N+]([O-])c1cnc(Nc2nn[nH]n2)c([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine?
The InChIKey is DHQJBBASJBHPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N8O4/c15-13(16)3-1-4(14(17)18)5(7-2-3)8-6-9-11-12-10-6/h1-2H,(H2,7,8,9,10,11,12).
What are the key properties of 3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine?
3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine has a molecular weight of 252.15 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 175584843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).