Pentazane (9CI)

H7N5 — CID 5249339

IUPAC—
SMILESNNNNN
InChIInChI=1S/H7N5/c1-3-5-4-2/h3-5H,1-2H2
InChIKeyZKVJJVAZTBDPNW-UHFFFAOYSA-N
MW77.09 g/mol
LogP-2.67
Rot. Bonds2

About Pentazane (9CI)

Pentazane (9CI) (PubChem CID 5249339) has the molecular formula H7N5 and a molecular weight of 77.09 g/mol.

Molecular Properties

Compound NamePentazane (9CI)
PubChem CID5249339
Molecular FormulaH7N5
Molecular Weight77.09 g/mol
Exact Mass77.07
IUPAC Name—
SMILESNNNNN
InChIInChI=1S/H7N5/c1-3-5-4-2/h3-5H,1-2H2
InChIKeyZKVJJVAZTBDPNW-UHFFFAOYSA-N
XLogP-2.67
TPSA88.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.09
LogP ≤ 5-2.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 Pentazane (9CI)?
The IUPAC name of Pentazane (9CI) (CID 5249339) is not available.
What is the SMILES notation for Pentazane (9CI)?
The canonical SMILES for Pentazane (9CI) is NNNNN.
What is the InChIKey of Pentazane (9CI)?
The InChIKey is ZKVJJVAZTBDPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/H7N5/c1-3-5-4-2/h3-5H,1-2H2.
What are the key properties of Pentazane (9CI)?
Pentazane (9CI) has a molecular weight of 77.09 g/mol, XLogP of -2.67, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Pentazane (9CI) is sourced from PubChem (CID 5249339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).