7aH-[1,3,5]triazino[2,1-a]isoquinoline

C11H9N3 — CID 57009001

IUPAC7aH-[1,3,5]triazino[2,1-a]isoquinoline
SMILESC1=CC2=C3N=CN=CN3C=CC2C=C1
InChIInChI=1S/C11H9N3/c1-2-4-10-9(3-1)5-6-14-8-12-7-13-11(10)14/h1-9H
InChIKeyALVUMPOLCACGOO-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.84
Rot. Bonds

About 7aH-[1,3,5]triazino[2,1-a]isoquinoline

7aH-[1,3,5]triazino[2,1-a]isoquinoline (PubChem CID 57009001) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 7aH-[1,3,5]triazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name7aH-[1,3,5]triazino[2,1-a]isoquinoline
PubChem CID57009001
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name7aH-[1,3,5]triazino[2,1-a]isoquinoline
SMILESC1=CC2=C3N=CN=CN3C=CC2C=C1
InChIInChI=1S/C11H9N3/c1-2-4-10-9(3-1)5-6-14-8-12-7-13-11(10)14/h1-9H
InChIKeyALVUMPOLCACGOO-UHFFFAOYSA-N
XLogP1.84
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7aH-pyrimido[2,1-a]isoquinoline
CID 57201531
7aH-pyrimido[6,1-a]isoquinoline
CID 57306789

Frequently Asked Questions

What is the IUPAC name of 7aH-[1,3,5]triazino[2,1-a]isoquinoline?
The IUPAC name of 7aH-[1,3,5]triazino[2,1-a]isoquinoline (CID 57009001) is 7aH-[1,3,5]triazino[2,1-a]isoquinoline.
What is the SMILES notation for 7aH-[1,3,5]triazino[2,1-a]isoquinoline?
The canonical SMILES for 7aH-[1,3,5]triazino[2,1-a]isoquinoline is C1=CC2=C3N=CN=CN3C=CC2C=C1.
What is the InChIKey of 7aH-[1,3,5]triazino[2,1-a]isoquinoline?
The InChIKey is ALVUMPOLCACGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-4-10-9(3-1)5-6-14-8-12-7-13-11(10)14/h1-9H.
What are the key properties of 7aH-[1,3,5]triazino[2,1-a]isoquinoline?
7aH-[1,3,5]triazino[2,1-a]isoquinoline has a molecular weight of 183.21 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7aH-[1,3,5]triazino[2,1-a]isoquinoline is sourced from PubChem (CID 57009001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).