9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene

C11H8N4-2 — CID 154815637

IUPAC9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene
SMILESC1=C[N-]C(=C2[N-]N=C3C=CC=CN32)C=C1
InChIInChI=1S/C11H8N4/c1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11/h1-8H/q-2
InChIKeyBQYIXVHCSOPGJH-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.70
Rot. Bonds

About 9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene

9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene (PubChem CID 154815637) has the molecular formula C11H8N4-2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene.

Molecular Properties

Compound Name9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene
PubChem CID154815637
Molecular FormulaC11H8N4-2
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene
SMILESC1=C[N-]C(=C2[N-]N=C3C=CC=CN32)C=C1
InChIInChI=1S/C11H8N4/c1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11/h1-8H/q-2
InChIKeyBQYIXVHCSOPGJH-UHFFFAOYSA-N
XLogP2.70
TPSA43.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene?
The IUPAC name of 9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene (CID 154815637) is 9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene.
What is the SMILES notation for 9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene?
The canonical SMILES for 9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene is C1=C[N-]C(=C2[N-]N=C3C=CC=CN32)C=C1.
What is the InChIKey of 9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene?
The InChIKey is BQYIXVHCSOPGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11/h1-8H/q-2.
What are the key properties of 9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene?
9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene has a molecular weight of 196.21 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene is sourced from PubChem (CID 154815637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).