6-ethenylpyridine-3,4-diamine

C7H9N3 — CID 74891844

IUPAC6-ethenylpyridine-3,4-diamine
SMILESC=Cc1cc(N)c(N)cn1
InChIInChI=1S/C7H9N3/c1-2-5-3-6(8)7(9)4-10-5/h2-4H,1,9H2,(H2,8,10)
InChIKeyLCSVBGDQNJYMLE-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.89
Rot. Bonds1

About 6-ethenylpyridine-3,4-diamine

6-ethenylpyridine-3,4-diamine (PubChem CID 74891844) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 6-ethenylpyridine-3,4-diamine.

Molecular Properties

Compound Name6-ethenylpyridine-3,4-diamine
PubChem CID74891844
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name6-ethenylpyridine-3,4-diamine
SMILESC=Cc1cc(N)c(N)cn1
InChIInChI=1S/C7H9N3/c1-2-5-3-6(8)7(9)4-10-5/h2-4H,1,9H2,(H2,8,10)
InChIKeyLCSVBGDQNJYMLE-UHFFFAOYSA-N
XLogP0.89
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethenylpyridine-3,4-diamine?
The IUPAC name of 6-ethenylpyridine-3,4-diamine (CID 74891844) is 6-ethenylpyridine-3,4-diamine.
What is the SMILES notation for 6-ethenylpyridine-3,4-diamine?
The canonical SMILES for 6-ethenylpyridine-3,4-diamine is C=Cc1cc(N)c(N)cn1.
What is the InChIKey of 6-ethenylpyridine-3,4-diamine?
The InChIKey is LCSVBGDQNJYMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-5-3-6(8)7(9)4-10-5/h2-4H,1,9H2,(H2,8,10).
What are the key properties of 6-ethenylpyridine-3,4-diamine?
6-ethenylpyridine-3,4-diamine has a molecular weight of 135.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenylpyridine-3,4-diamine is sourced from PubChem (CID 74891844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).