(Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine

C13H12N4 — CID 118228085

IUPAC(Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine
SMILES[H]/N=C(/C=C(\N)c1ccncc1)c1ccncc1
InChIInChI=1S/C13H12N4/c14-12(10-1-5-16-6-2-10)9-13(15)11-3-7-17-8-4-11/h1-9,14H,15H2/b13-9-,14-12-
InChIKeyHMISGFDCAMUFNO-YKCZHJISSA-N
MW224.27 g/mol
LogP1.84
Rot. Bonds3

About (Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine

(Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine (PubChem CID 118228085) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is (Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine
PubChem CID118228085
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name(Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine
SMILES[H]/N=C(/C=C(\N)c1ccncc1)c1ccncc1
InChIInChI=1S/C13H12N4/c14-12(10-1-5-16-6-2-10)9-13(15)11-3-7-17-8-4-11/h1-9,14H,15H2/b13-9-,14-12-
InChIKeyHMISGFDCAMUFNO-YKCZHJISSA-N
XLogP1.84
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine (CID 118228085) is (Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine is [H]/N=C(/C=C(\N)c1ccncc1)c1ccncc1.
What is the InChIKey of (Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine?
The InChIKey is HMISGFDCAMUFNO-YKCZHJISSA-N. The full InChI is InChI=1S/C13H12N4/c14-12(10-1-5-16-6-2-10)9-13(15)11-3-7-17-8-4-11/h1-9,14H,15H2/b13-9-,14-12-.
What are the key properties of (Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine?
(Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine has a molecular weight of 224.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine is sourced from PubChem (CID 118228085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).