3,4-dihydropyridine-4,5-diamine

C5H9N3 — CID 123220143

IUPAC3,4-dihydropyridine-4,5-diamine
SMILESNC1=CN=CCC1N
InChIInChI=1S/C5H9N3/c6-4-1-2-8-3-5(4)7/h2-4H,1,6-7H2
InChIKeyRXEXSNLLMUNBPW-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.41
Rot. Bonds

About 3,4-dihydropyridine-4,5-diamine

3,4-dihydropyridine-4,5-diamine (PubChem CID 123220143) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 3,4-dihydropyridine-4,5-diamine.

Molecular Properties

Compound Name3,4-dihydropyridine-4,5-diamine
PubChem CID123220143
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name3,4-dihydropyridine-4,5-diamine
SMILESNC1=CN=CCC1N
InChIInChI=1S/C5H9N3/c6-4-1-2-8-3-5(4)7/h2-4H,1,6-7H2
InChIKeyRXEXSNLLMUNBPW-UHFFFAOYSA-N
XLogP-0.41
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydropyridine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyridine-4,5-diamine?
The IUPAC name of 3,4-dihydropyridine-4,5-diamine (CID 123220143) is 3,4-dihydropyridine-4,5-diamine.
What is the SMILES notation for 3,4-dihydropyridine-4,5-diamine?
The canonical SMILES for 3,4-dihydropyridine-4,5-diamine is NC1=CN=CCC1N.
What is the InChIKey of 3,4-dihydropyridine-4,5-diamine?
The InChIKey is RXEXSNLLMUNBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-4-1-2-8-3-5(4)7/h2-4H,1,6-7H2.
What are the key properties of 3,4-dihydropyridine-4,5-diamine?
3,4-dihydropyridine-4,5-diamine has a molecular weight of 111.15 g/mol, XLogP of -0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridine-4,5-diamine is sourced from PubChem (CID 123220143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).