2-methoxyethenylbenzene;triazine

C12H13N3O — CID 161264101

IUPAC2-methoxyethenylbenzene;triazine
SMILESCOC=Cc1ccccc1.c1cnnnc1
InChIInChI=1S/C9H10O.C3H3N3/c1-10-8-7-9-5-3-2-4-6-9;1-2-4-6-5-3-1/h2-8H,1H3;1-3H
InChIKeyVCYCTXPJABXXMG-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.18
Rot. Bonds2

About 2-methoxyethenylbenzene;triazine

2-methoxyethenylbenzene;triazine (PubChem CID 161264101) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-methoxyethenylbenzene;triazine.

Molecular Properties

Compound Name2-methoxyethenylbenzene;triazine
PubChem CID161264101
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-methoxyethenylbenzene;triazine
SMILESCOC=Cc1ccccc1.c1cnnnc1
InChIInChI=1S/C9H10O.C3H3N3/c1-10-8-7-9-5-3-2-4-6-9;1-2-4-6-5-3-1/h2-8H,1H3;1-3H
InChIKeyVCYCTXPJABXXMG-UHFFFAOYSA-N
XLogP2.18
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethenyl)-2,6-diphenylpyrylium
CID 101194037
[(Z)-2-phenylethenoxy]-tri(propan-2-yl)silane
CID 101273176
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833
3-(2-methoxyethenyl)phenol
CID 175460679
2-phenylethenyl hypochlorite
CID 174846966
1-bromo-3-[(E)-2-methoxyethenyl]benzene
CID 67543608
1-bromo-3-[(Z)-2-methoxyethenyl]benzene
CID 172866620
3-[(E)-2-methoxyethenyl]aniline
CID 71681260
3-(2-methoxyethenyl)benzoic acid
CID 70467435
ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole
CID 90810948
1-ethyl-4-(2-methoxyethenyl)benzene
CID 131871300
formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene
CID 145155759

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethenylbenzene;triazine?
The IUPAC name of 2-methoxyethenylbenzene;triazine (CID 161264101) is 2-methoxyethenylbenzene;triazine.
What is the SMILES notation for 2-methoxyethenylbenzene;triazine?
The canonical SMILES for 2-methoxyethenylbenzene;triazine is COC=Cc1ccccc1.c1cnnnc1.
What is the InChIKey of 2-methoxyethenylbenzene;triazine?
The InChIKey is VCYCTXPJABXXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C3H3N3/c1-10-8-7-9-5-3-2-4-6-9;1-2-4-6-5-3-1/h2-8H,1H3;1-3H.
What are the key properties of 2-methoxyethenylbenzene;triazine?
2-methoxyethenylbenzene;triazine has a molecular weight of 215.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethenylbenzene;triazine is sourced from PubChem (CID 161264101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).