1,2-dihydropyridine-2,6-diamine

C5H9N3 — CID 21484149

IUPAC1,2-dihydropyridine-2,6-diamine
SMILESNC1=CC=CC(N)N1
InChIInChI=1S/C5H9N3/c6-4-2-1-3-5(7)8-4/h1-4,8H,6-7H2
InChIKeyXNJATKPGORTUCP-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.77
Rot. Bonds

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

1,2-dihydropyridine-2,6-diamine (PubChem CID 21484149) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1,2-dihydropyridine-2,6-diamine.

Molecular Properties

Compound Name1,2-dihydropyridine-2,6-diamine
PubChem CID21484149
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1,2-dihydropyridine-2,6-diamine
SMILESNC1=CC=CC(N)N1
InChIInChI=1S/C5H9N3/c6-4-2-1-3-5(7)8-4/h1-4,8H,6-7H2
InChIKeyXNJATKPGORTUCP-UHFFFAOYSA-N
XLogP-0.77
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridine-2,6-diamine?
The IUPAC name of 1,2-dihydropyridine-2,6-diamine (CID 21484149) is 1,2-dihydropyridine-2,6-diamine.
What is the SMILES notation for 1,2-dihydropyridine-2,6-diamine?
The canonical SMILES for 1,2-dihydropyridine-2,6-diamine is NC1=CC=CC(N)N1.
What is the InChIKey of 1,2-dihydropyridine-2,6-diamine?
The InChIKey is XNJATKPGORTUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-4-2-1-3-5(7)8-4/h1-4,8H,6-7H2.
What are the key properties of 1,2-dihydropyridine-2,6-diamine?
1,2-dihydropyridine-2,6-diamine has a molecular weight of 111.15 g/mol, XLogP of -0.77, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine-2,6-diamine is sourced from PubChem (CID 21484149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).