5-(3-aminoprop-1-enyl)pyridine-3,4-diamine

C8H12N4 — CID 169463386

IUPAC5-(3-aminoprop-1-enyl)pyridine-3,4-diamine
SMILESNCC=Cc1cncc(N)c1N
InChIInChI=1S/C8H12N4/c9-3-1-2-6-4-12-5-7(10)8(6)11/h1-2,4-5H,3,9-10H2,(H2,11,12)
InChIKeyWSNOFXSYZMOXLD-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.22
Rot. Bonds2

About 5-(3-aminoprop-1-enyl)pyridine-3,4-diamine

5-(3-aminoprop-1-enyl)pyridine-3,4-diamine (PubChem CID 169463386) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)pyridine-3,4-diamine
PubChem CID169463386
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name5-(3-aminoprop-1-enyl)pyridine-3,4-diamine
SMILESNCC=Cc1cncc(N)c1N
InChIInChI=1S/C8H12N4/c9-3-1-2-6-4-12-5-7(10)8(6)11/h1-2,4-5H,3,9-10H2,(H2,11,12)
InChIKeyWSNOFXSYZMOXLD-UHFFFAOYSA-N
XLogP0.22
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)pyridine-3,4-diamine?
The IUPAC name of 5-(3-aminoprop-1-enyl)pyridine-3,4-diamine (CID 169463386) is 5-(3-aminoprop-1-enyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)pyridine-3,4-diamine?
The canonical SMILES for 5-(3-aminoprop-1-enyl)pyridine-3,4-diamine is NCC=Cc1cncc(N)c1N.
What is the InChIKey of 5-(3-aminoprop-1-enyl)pyridine-3,4-diamine?
The InChIKey is WSNOFXSYZMOXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c9-3-1-2-6-4-12-5-7(10)8(6)11/h1-2,4-5H,3,9-10H2,(H2,11,12).
What are the key properties of 5-(3-aminoprop-1-enyl)pyridine-3,4-diamine?
5-(3-aminoprop-1-enyl)pyridine-3,4-diamine has a molecular weight of 164.21 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)pyridine-3,4-diamine is sourced from PubChem (CID 169463386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).