3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one

C16H13N5O2 — CID 17337122

IUPAC3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
SMILESNC1=NC(c2ccccc2O)n2c(nc(=O)c3ccccc32)N1
InChIInChI=1S/C16H13N5O2/c17-15-18-13(10-6-2-4-8-12(10)22)21-11-7-3-1-5-9(11)14(23)19-16(21)20-15/h1-8,13,22H,(H3,17,18,19,20,23)
InChIKeyGVQTWRDFWZQHJP-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.39
Rot. Bonds1

About 3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one

3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one (PubChem CID 17337122) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one.

Molecular Properties

Compound Name3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
PubChem CID17337122
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
SMILESNC1=NC(c2ccccc2O)n2c(nc(=O)c3ccccc32)N1
InChIInChI=1S/C16H13N5O2/c17-15-18-13(10-6-2-4-8-12(10)22)21-11-7-3-1-5-9(11)14(23)19-16(21)20-15/h1-8,13,22H,(H3,17,18,19,20,23)
InChIKeyGVQTWRDFWZQHJP-UHFFFAOYSA-N
XLogP1.39
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
The IUPAC name of 3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one (CID 17337122) is 3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one.
What is the SMILES notation for 3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
The canonical SMILES for 3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one is NC1=NC(c2ccccc2O)n2c(nc(=O)c3ccccc32)N1.
What is the InChIKey of 3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
The InChIKey is GVQTWRDFWZQHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c17-15-18-13(10-6-2-4-8-12(10)22)21-11-7-3-1-5-9(11)14(23)19-16(21)20-15/h1-8,13,22H,(H3,17,18,19,20,23).
What are the key properties of 3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one has a molecular weight of 307.31 g/mol, XLogP of 1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-hydroxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one is sourced from PubChem (CID 17337122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).