5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine

C7H9N5 — CID 129192204

IUPAC5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine
SMILES[H]/N=C/C=N\Nc1cncc(N)c1
InChIInChI=1S/C7H9N5/c8-1-2-11-12-7-3-6(9)4-10-5-7/h1-5,8,12H,9H2/b8-1+,11-2-
InChIKeyVLKPUCQBSTXMKT-BKMHFMOZSA-N
MW163.18 g/mol
LogP0.71
Rot. Bonds3

About 5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine

5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine (PubChem CID 129192204) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine
PubChem CID129192204
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine
SMILES[H]/N=C/C=N\Nc1cncc(N)c1
InChIInChI=1S/C7H9N5/c8-1-2-11-12-7-3-6(9)4-10-5-7/h1-5,8,12H,9H2/b8-1+,11-2-
InChIKeyVLKPUCQBSTXMKT-BKMHFMOZSA-N
XLogP0.71
TPSA87.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine?
The IUPAC name of 5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine (CID 129192204) is 5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine?
The canonical SMILES for 5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine is [H]/N=C/C=N\Nc1cncc(N)c1.
What is the InChIKey of 5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine?
The InChIKey is VLKPUCQBSTXMKT-BKMHFMOZSA-N. The full InChI is InChI=1S/C7H9N5/c8-1-2-11-12-7-3-6(9)4-10-5-7/h1-5,8,12H,9H2/b8-1+,11-2-.
What are the key properties of 5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine?
5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine has a molecular weight of 163.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine is sourced from PubChem (CID 129192204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).