6-imino-2,5-dihydropyridine-1,5-diamine

C5H10N4 — CID 91290451

IUPAC6-imino-2,5-dihydropyridine-1,5-diamine
SMILES[H]/N=C1\C(N)C=CCN1N
InChIInChI=1S/C5H10N4/c6-4-2-1-3-9(8)5(4)7/h1-2,4,7H,3,6,8H2/b7-5+
InChIKeyMKCJQFMWFQWQFD-FNORWQNLSA-N
MW126.16 g/mol
LogP-0.96
Rot. Bonds

About 6-imino-2,5-dihydropyridine-1,5-diamine

6-imino-2,5-dihydropyridine-1,5-diamine (PubChem CID 91290451) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 6-imino-2,5-dihydropyridine-1,5-diamine.

Molecular Properties

Compound Name6-imino-2,5-dihydropyridine-1,5-diamine
PubChem CID91290451
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name6-imino-2,5-dihydropyridine-1,5-diamine
SMILES[H]/N=C1\C(N)C=CCN1N
InChIInChI=1S/C5H10N4/c6-4-2-1-3-9(8)5(4)7/h1-2,4,7H,3,6,8H2/b7-5+
InChIKeyMKCJQFMWFQWQFD-FNORWQNLSA-N
XLogP-0.96
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Imino-2,5-dihydropyridin-1-amine
CID 57319571

Frequently Asked Questions

What is the IUPAC name of 6-imino-2,5-dihydropyridine-1,5-diamine?
The IUPAC name of 6-imino-2,5-dihydropyridine-1,5-diamine (CID 91290451) is 6-imino-2,5-dihydropyridine-1,5-diamine.
What is the SMILES notation for 6-imino-2,5-dihydropyridine-1,5-diamine?
The canonical SMILES for 6-imino-2,5-dihydropyridine-1,5-diamine is [H]/N=C1\C(N)C=CCN1N.
What is the InChIKey of 6-imino-2,5-dihydropyridine-1,5-diamine?
The InChIKey is MKCJQFMWFQWQFD-FNORWQNLSA-N. The full InChI is InChI=1S/C5H10N4/c6-4-2-1-3-9(8)5(4)7/h1-2,4,7H,3,6,8H2/b7-5+.
What are the key properties of 6-imino-2,5-dihydropyridine-1,5-diamine?
6-imino-2,5-dihydropyridine-1,5-diamine has a molecular weight of 126.16 g/mol, XLogP of -0.96, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-2,5-dihydropyridine-1,5-diamine is sourced from PubChem (CID 91290451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).