pyridine-3,4-diamine

C5H7N3 — CID 5918

💊View drug profile → amifampridine
IUPACpyridine-3,4-diamine
SMILESNc1ccncc1N
InChIInChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
InChIKeyOYTKINVCDFNREN-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.25
Rot. Bonds

About pyridine-3,4-diamine

pyridine-3,4-diamine (PubChem CID 5918) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is pyridine-3,4-diamine.

Molecular Properties

Compound Namepyridine-3,4-diamine
PubChem CID5918
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Namepyridine-3,4-diamine
SMILESNc1ccncc1N
InChIInChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
InChIKeyOYTKINVCDFNREN-UHFFFAOYSA-N
XLogP0.25
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridine-3,4-diamine?
The IUPAC name of pyridine-3,4-diamine (CID 5918) is pyridine-3,4-diamine.
What is the SMILES notation for pyridine-3,4-diamine?
The canonical SMILES for pyridine-3,4-diamine is Nc1ccncc1N.
What is the InChIKey of pyridine-3,4-diamine?
The InChIKey is OYTKINVCDFNREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8).
What are the key properties of pyridine-3,4-diamine?
pyridine-3,4-diamine has a molecular weight of 109.13 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3,4-diamine is sourced from PubChem (CID 5918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).