7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one

C18H12N4O3 — CID 167762135

IUPAC7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one
SMILESNc1ncnc(Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)n1
InChIInChI=1S/C18H12N4O3/c19-17-20-10-21-18(22-17)24-12-6-7-13-14(11-4-2-1-3-5-11)9-16(23)25-15(13)8-12/h1-10H,(H2,19,20,21,22)
InChIKeyRDJIEEZARBTAGX-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.02
Rot. Bonds3

About 7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one

7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one (PubChem CID 167762135) has the molecular formula C18H12N4O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one
PubChem CID167762135
Molecular FormulaC18H12N4O3
Molecular Weight332.32 g/mol
Exact Mass332.09
IUPAC Name7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one
SMILESNc1ncnc(Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)n1
InChIInChI=1S/C18H12N4O3/c19-17-20-10-21-18(22-17)24-12-6-7-13-14(11-4-2-1-3-5-11)9-16(23)25-15(13)8-12/h1-10H,(H2,19,20,21,22)
InChIKeyRDJIEEZARBTAGX-UHFFFAOYSA-N
XLogP3.02
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one?
The IUPAC name of 7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one (CID 167762135) is 7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one.
What is the SMILES notation for 7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one?
The canonical SMILES for 7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one is Nc1ncnc(Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)n1.
What is the InChIKey of 7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one?
The InChIKey is RDJIEEZARBTAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3/c19-17-20-10-21-18(22-17)24-12-6-7-13-14(11-4-2-1-3-5-11)9-16(23)25-15(13)8-12/h1-10H,(H2,19,20,21,22).
What are the key properties of 7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one?
7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one has a molecular weight of 332.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-amino-1,3,5-triazin-2-yl)oxy]-4-phenylchromen-2-one is sourced from PubChem (CID 167762135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).