3H-pyridine-4,4-diamine

C5H9N3 — CID 154318605

IUPAC3H-pyridine-4,4-diamine
SMILESNC1(N)C=CN=CC1
InChIInChI=1S/C5H9N3/c6-5(7)1-3-8-4-2-5/h1,3-4H,2,6-7H2
InChIKeyFEQBBGDUKKBBIZ-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.41
Rot. Bonds

About 3H-pyridine-4,4-diamine

3H-pyridine-4,4-diamine (PubChem CID 154318605) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 3H-pyridine-4,4-diamine.

Molecular Properties

Compound Name3H-pyridine-4,4-diamine
PubChem CID154318605
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name3H-pyridine-4,4-diamine
SMILESNC1(N)C=CN=CC1
InChIInChI=1S/C5H9N3/c6-5(7)1-3-8-4-2-5/h1,3-4H,2,6-7H2
InChIKeyFEQBBGDUKKBBIZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-Iminopyridine
CID 21297554
Pyridine-3,4-diimine
CID 22022782
4,4-Dimethylaminopyridine
CID 86589049
4-fluoro-3H-pyridin-4-amine
CID 150883510
4H-pyridin-3-imine
CID 21297587
3,4-Dihydropyridin-6-amine
CID 22751226
3,4-Dihydropyridin-4-amine
CID 53872884
4-Chloro-4-amino-pyridine
CID 67242974
4-methyl-3H-pyridin-4-amine
CID 89676489
3,4-Dihydropyridine-3,4-diamine
CID 89933075
3,4-Dihydropyridin-3-amine
CID 141536129
4H-pyridine-3,3-diamine
CID 152542977

Frequently Asked Questions

What is the IUPAC name of 3H-pyridine-4,4-diamine?
The IUPAC name of 3H-pyridine-4,4-diamine (CID 154318605) is 3H-pyridine-4,4-diamine.
What is the SMILES notation for 3H-pyridine-4,4-diamine?
The canonical SMILES for 3H-pyridine-4,4-diamine is NC1(N)C=CN=CC1.
What is the InChIKey of 3H-pyridine-4,4-diamine?
The InChIKey is FEQBBGDUKKBBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-5(7)1-3-8-4-2-5/h1,3-4H,2,6-7H2.
What are the key properties of 3H-pyridine-4,4-diamine?
3H-pyridine-4,4-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 3H-pyridine-4,4-diamine is sourced from PubChem (CID 154318605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).