nitric acid;tetrazole-1,5-diamine

CH5N7O3 — CID 13378165

IUPACnitric acid;tetrazole-1,5-diamine
SMILESNc1nnnn1N.O=[N+]([O-])O
InChIInChI=1S/CH4N6.HNO3/c2-1-4-5-6-7(1)3;2-1(3)4/h3H2,(H2,2,4,6);(H,2,3,4)
InChIKeyQEYMBLUUFKPCNH-UHFFFAOYSA-N
MW163.10 g/mol
LogP-2.38
Rot. Bonds

About nitric acid;tetrazole-1,5-diamine

nitric acid;tetrazole-1,5-diamine (PubChem CID 13378165) has the molecular formula CH5N7O3 and a molecular weight of 163.10 g/mol. Its IUPAC name is nitric acid;tetrazole-1,5-diamine.

Molecular Properties

Compound Namenitric acid;tetrazole-1,5-diamine
PubChem CID13378165
Molecular FormulaCH5N7O3
Molecular Weight163.10 g/mol
Exact Mass163.05
IUPAC Namenitric acid;tetrazole-1,5-diamine
SMILESNc1nnnn1N.O=[N+]([O-])O
InChIInChI=1S/CH4N6.HNO3/c2-1-4-5-6-7(1)3;2-1(3)4/h3H2,(H2,2,4,6);(H,2,3,4)
InChIKeyQEYMBLUUFKPCNH-UHFFFAOYSA-N
XLogP-2.38
TPSA159.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
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 nitric acid;tetrazole-1,5-diamine?
The IUPAC name of nitric acid;tetrazole-1,5-diamine (CID 13378165) is nitric acid;tetrazole-1,5-diamine.
What is the SMILES notation for nitric acid;tetrazole-1,5-diamine?
The canonical SMILES for nitric acid;tetrazole-1,5-diamine is Nc1nnnn1N.O=[N+]([O-])O.
What is the InChIKey of nitric acid;tetrazole-1,5-diamine?
The InChIKey is QEYMBLUUFKPCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N6.HNO3/c2-1-4-5-6-7(1)3;2-1(3)4/h3H2,(H2,2,4,6);(H,2,3,4).
What are the key properties of nitric acid;tetrazole-1,5-diamine?
nitric acid;tetrazole-1,5-diamine has a molecular weight of 163.10 g/mol, XLogP of -2.38, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;tetrazole-1,5-diamine is sourced from PubChem (CID 13378165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).