6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one

C10H9N3O2 — CID 173375590

IUPAC6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one
SMILESCOC1(c2ncncn2)C=CC=CC1=O
InChIInChI=1S/C10H9N3O2/c1-15-10(5-3-2-4-8(10)14)9-12-6-11-7-13-9/h2-7H,1H3
InChIKeyQCILDDJSAHTDJG-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.41
Rot. Bonds2

About 6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one

6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one (PubChem CID 173375590) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one
PubChem CID173375590
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one
SMILESCOC1(c2ncncn2)C=CC=CC1=O
InChIInChI=1S/C10H9N3O2/c1-15-10(5-3-2-4-8(10)14)9-12-6-11-7-13-9/h2-7H,1H3
InChIKeyQCILDDJSAHTDJG-UHFFFAOYSA-N
XLogP0.41
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one (CID 173375590) is 6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one is COC1(c2ncncn2)C=CC=CC1=O.
What is the InChIKey of 6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one?
The InChIKey is QCILDDJSAHTDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-15-10(5-3-2-4-8(10)14)9-12-6-11-7-13-9/h2-7H,1H3.
What are the key properties of 6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one?
6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one has a molecular weight of 203.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-(1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 173375590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).