2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile

C13H11N5 — CID 71966719

IUPAC2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile
SMILESCCN1C=CC=CC1=C(C#N)C(N)=C(C#N)C#N
InChIInChI=1S/C13H11N5/c1-2-18-6-4-3-5-12(18)11(9-16)13(17)10(7-14)8-15/h3-6H,2,17H2,1H3
InChIKeyIXCZCPPEHSVPSY-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.43
Rot. Bonds2

About 2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile

2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile (PubChem CID 71966719) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile.

Molecular Properties

Compound Name2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile
PubChem CID71966719
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile
SMILESCCN1C=CC=CC1=C(C#N)C(N)=C(C#N)C#N
InChIInChI=1S/C13H11N5/c1-2-18-6-4-3-5-12(18)11(9-16)13(17)10(7-14)8-15/h3-6H,2,17H2,1H3
InChIKeyIXCZCPPEHSVPSY-UHFFFAOYSA-N
XLogP1.43
TPSA100.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile?
The IUPAC name of 2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile (CID 71966719) is 2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile.
What is the SMILES notation for 2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile?
The canonical SMILES for 2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile is CCN1C=CC=CC1=C(C#N)C(N)=C(C#N)C#N.
What is the InChIKey of 2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile?
The InChIKey is IXCZCPPEHSVPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c1-2-18-6-4-3-5-12(18)11(9-16)13(17)10(7-14)8-15/h3-6H,2,17H2,1H3.
What are the key properties of 2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile?
2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile has a molecular weight of 237.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile is sourced from PubChem (CID 71966719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).