2,3-dihydropyridine-3,4-diamine

C5H9N3 — CID 89105867

IUPAC2,3-dihydropyridine-3,4-diamine
SMILESNC1=CC=NCC1N
InChIInChI=1S/C5H9N3/c6-4-1-2-8-3-5(4)7/h1-2,5H,3,6-7H2
InChIKeyCOXSIWWBXOPEIY-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.76
Rot. Bonds

About 2,3-dihydropyridine-3,4-diamine

2,3-dihydropyridine-3,4-diamine (PubChem CID 89105867) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 2,3-dihydropyridine-3,4-diamine.

Molecular Properties

Compound Name2,3-dihydropyridine-3,4-diamine
PubChem CID89105867
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name2,3-dihydropyridine-3,4-diamine
SMILESNC1=CC=NCC1N
InChIInChI=1S/C5H9N3/c6-4-1-2-8-3-5(4)7/h1-2,5H,3,6-7H2
InChIKeyCOXSIWWBXOPEIY-UHFFFAOYSA-N
XLogP-0.76
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 ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine-3,4-diamine?
The IUPAC name of 2,3-dihydropyridine-3,4-diamine (CID 89105867) is 2,3-dihydropyridine-3,4-diamine.
What is the SMILES notation for 2,3-dihydropyridine-3,4-diamine?
The canonical SMILES for 2,3-dihydropyridine-3,4-diamine is NC1=CC=NCC1N.
What is the InChIKey of 2,3-dihydropyridine-3,4-diamine?
The InChIKey is COXSIWWBXOPEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-4-1-2-8-3-5(4)7/h1-2,5H,3,6-7H2.
What are the key properties of 2,3-dihydropyridine-3,4-diamine?
2,3-dihydropyridine-3,4-diamine has a molecular weight of 111.15 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine-3,4-diamine is sourced from PubChem (CID 89105867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).