1-amino-2H-azulene-1,3-dicarbonitrile

C12H9N3 — CID 18694980

IUPAC1-amino-2H-azulene-1,3-dicarbonitrile
SMILESN#CC1=C2C=CC=CC=C2C(N)(C#N)C1
InChIInChI=1S/C12H9N3/c13-7-9-6-12(15,8-14)11-5-3-1-2-4-10(9)11/h1-5H,6,15H2
InChIKeyGCHTWLDYVZEMFF-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.48
Rot. Bonds

About 1-amino-2H-azulene-1,3-dicarbonitrile

1-amino-2H-azulene-1,3-dicarbonitrile (PubChem CID 18694980) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-amino-2H-azulene-1,3-dicarbonitrile.

Molecular Properties

Compound Name1-amino-2H-azulene-1,3-dicarbonitrile
PubChem CID18694980
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name1-amino-2H-azulene-1,3-dicarbonitrile
SMILESN#CC1=C2C=CC=CC=C2C(N)(C#N)C1
InChIInChI=1S/C12H9N3/c13-7-9-6-12(15,8-14)11-5-3-1-2-4-10(9)11/h1-5H,6,15H2
InChIKeyGCHTWLDYVZEMFF-UHFFFAOYSA-N
XLogP1.48
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2H-azulene-1,3-dicarbonitrile?
The IUPAC name of 1-amino-2H-azulene-1,3-dicarbonitrile (CID 18694980) is 1-amino-2H-azulene-1,3-dicarbonitrile.
What is the SMILES notation for 1-amino-2H-azulene-1,3-dicarbonitrile?
The canonical SMILES for 1-amino-2H-azulene-1,3-dicarbonitrile is N#CC1=C2C=CC=CC=C2C(N)(C#N)C1.
What is the InChIKey of 1-amino-2H-azulene-1,3-dicarbonitrile?
The InChIKey is GCHTWLDYVZEMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c13-7-9-6-12(15,8-14)11-5-3-1-2-4-10(9)11/h1-5H,6,15H2.
What are the key properties of 1-amino-2H-azulene-1,3-dicarbonitrile?
1-amino-2H-azulene-1,3-dicarbonitrile has a molecular weight of 195.22 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2H-azulene-1,3-dicarbonitrile is sourced from PubChem (CID 18694980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).