2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one

C17H18N4O4 — CID 4896364

IUPAC2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one
SMILESCOc1cc(C=C2C(=O)N=C3N=C(C)C(C)=NN23)cc(OC)c1OC
InChIInChI=1S/C17H18N4O4/c1-9-10(2)20-21-12(16(22)19-17(21)18-9)6-11-7-13(23-3)15(25-5)14(8-11)24-4/h6-8H,1-5H3
InChIKeyPXSFYPCFHZBYCR-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.10
Rot. Bonds4

About 2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one

2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one (PubChem CID 4896364) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one.

Molecular Properties

Compound Name2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one
PubChem CID4896364
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one
SMILESCOc1cc(C=C2C(=O)N=C3N=C(C)C(C)=NN23)cc(OC)c1OC
InChIInChI=1S/C17H18N4O4/c1-9-10(2)20-21-12(16(22)19-17(21)18-9)6-11-7-13(23-3)15(25-5)14(8-11)24-4/h6-8H,1-5H3
InChIKeyPXSFYPCFHZBYCR-UHFFFAOYSA-N
XLogP2.10
TPSA85.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one?
The IUPAC name of 2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one (CID 4896364) is 2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one.
What is the SMILES notation for 2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one?
The canonical SMILES for 2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one is COc1cc(C=C2C(=O)N=C3N=C(C)C(C)=NN23)cc(OC)c1OC.
What is the InChIKey of 2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one?
The InChIKey is PXSFYPCFHZBYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-9-10(2)20-21-12(16(22)19-17(21)18-9)6-11-7-13(23-3)15(25-5)14(8-11)24-4/h6-8H,1-5H3.
What are the key properties of 2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one?
2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one has a molecular weight of 342.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one is sourced from PubChem (CID 4896364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).