isoquinoline;1,3,5-triazine

C12H10N4 — CID 175198893

IUPACisoquinoline;1,3,5-triazine
SMILESc1ccc2cnccc2c1.c1ncncn1
InChIInChI=1S/C9H7N.C3H3N3/c1-2-4-9-7-10-6-5-8(9)3-1;1-4-2-6-3-5-1/h1-7H;1-3H
InChIKeyABERTUUQUOYVEU-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.11
Rot. Bonds

About isoquinoline;1,3,5-triazine

isoquinoline;1,3,5-triazine (PubChem CID 175198893) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is isoquinoline;1,3,5-triazine.

Molecular Properties

Compound Nameisoquinoline;1,3,5-triazine
PubChem CID175198893
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Nameisoquinoline;1,3,5-triazine
SMILESc1ccc2cnccc2c1.c1ncncn1
InChIInChI=1S/C9H7N.C3H3N3/c1-2-4-9-7-10-6-5-8(9)3-1;1-4-2-6-3-5-1/h1-7H;1-3H
InChIKeyABERTUUQUOYVEU-UHFFFAOYSA-N
XLogP2.11
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of isoquinoline;1,3,5-triazine?
The IUPAC name of isoquinoline;1,3,5-triazine (CID 175198893) is isoquinoline;1,3,5-triazine.
What is the SMILES notation for isoquinoline;1,3,5-triazine?
The canonical SMILES for isoquinoline;1,3,5-triazine is c1ccc2cnccc2c1.c1ncncn1.
What is the InChIKey of isoquinoline;1,3,5-triazine?
The InChIKey is ABERTUUQUOYVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C3H3N3/c1-2-4-9-7-10-6-5-8(9)3-1;1-4-2-6-3-5-1/h1-7H;1-3H.
What are the key properties of isoquinoline;1,3,5-triazine?
isoquinoline;1,3,5-triazine has a molecular weight of 210.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline;1,3,5-triazine is sourced from PubChem (CID 175198893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).