(5-aminotetrazol-1-yl) nitrate

CH2N6O3 — CID 70017504

IUPAC(5-aminotetrazol-1-yl) nitrate
SMILESNc1nnnn1O[N+](=O)[O-]
InChIInChI=1S/CH2N6O3/c2-1-3-4-5-6(1)10-7(8)9/h(H2,2,3,5)
InChIKeyWQJYKXQMUKMRAZ-UHFFFAOYSA-N
MW146.07 g/mol
LogP-2.12
Rot. Bonds2

About (5-aminotetrazol-1-yl) nitrate

(5-aminotetrazol-1-yl) nitrate (PubChem CID 70017504) has the molecular formula CH2N6O3 and a molecular weight of 146.07 g/mol. Its IUPAC name is (5-aminotetrazol-1-yl) nitrate.

Molecular Properties

Compound Name(5-aminotetrazol-1-yl) nitrate
PubChem CID70017504
Molecular FormulaCH2N6O3
Molecular Weight146.07 g/mol
Exact Mass146.02
IUPAC Name(5-aminotetrazol-1-yl) nitrate
SMILESNc1nnnn1O[N+](=O)[O-]
InChIInChI=1S/CH2N6O3/c2-1-3-4-5-6(1)10-7(8)9/h(H2,2,3,5)
InChIKeyWQJYKXQMUKMRAZ-UHFFFAOYSA-N
XLogP-2.12
TPSA121.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.07
LogP ≤ 5-2.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 (5-aminotetrazol-1-yl) nitrate?
The IUPAC name of (5-aminotetrazol-1-yl) nitrate (CID 70017504) is (5-aminotetrazol-1-yl) nitrate.
What is the SMILES notation for (5-aminotetrazol-1-yl) nitrate?
The canonical SMILES for (5-aminotetrazol-1-yl) nitrate is Nc1nnnn1O[N+](=O)[O-].
What is the InChIKey of (5-aminotetrazol-1-yl) nitrate?
The InChIKey is WQJYKXQMUKMRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N6O3/c2-1-3-4-5-6(1)10-7(8)9/h(H2,2,3,5).
What are the key properties of (5-aminotetrazol-1-yl) nitrate?
(5-aminotetrazol-1-yl) nitrate has a molecular weight of 146.07 g/mol, XLogP of -2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminotetrazol-1-yl) nitrate is sourced from PubChem (CID 70017504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).