3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one

C15H12N6O — CID 17337127

IUPAC3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
SMILESNC1=NC(c2ccncc2)n2c(nc(=O)c3ccccc32)N1
InChIInChI=1S/C15H12N6O/c16-14-18-12(9-5-7-17-8-6-9)21-11-4-2-1-3-10(11)13(22)19-15(21)20-14/h1-8,12H,(H3,16,18,19,20,22)
InChIKeyGHKQCOCMYZWOPC-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.08
Rot. Bonds1

About 3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one

3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one (PubChem CID 17337127) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one.

Molecular Properties

Compound Name3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
PubChem CID17337127
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
SMILESNC1=NC(c2ccncc2)n2c(nc(=O)c3ccccc32)N1
InChIInChI=1S/C15H12N6O/c16-14-18-12(9-5-7-17-8-6-9)21-11-4-2-1-3-10(11)13(22)19-15(21)20-14/h1-8,12H,(H3,16,18,19,20,22)
InChIKeyGHKQCOCMYZWOPC-UHFFFAOYSA-N
XLogP1.08
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
4-Aminobenzamidopyridine
CID 81976
N-(4-pyridyl)benzamide
CID 78893
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169
N-(pyridin-2-yl)benzamide
CID 219990
N11-Ethyl-7-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453273
N11-Ethyl-N5-methyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 453351
N5,N11-Diethyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 453352
3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 5742213
Src-820 R
CID 63120
((E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4-(3H)-one)
CID 5738263

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
The IUPAC name of 3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one (CID 17337127) is 3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one.
What is the SMILES notation for 3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
The canonical SMILES for 3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one is NC1=NC(c2ccncc2)n2c(nc(=O)c3ccccc32)N1.
What is the InChIKey of 3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
The InChIKey is GHKQCOCMYZWOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c16-14-18-12(9-5-7-17-8-6-9)21-11-4-2-1-3-10(11)13(22)19-15(21)20-14/h1-8,12H,(H3,16,18,19,20,22).
What are the key properties of 3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one has a molecular weight of 292.30 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one is sourced from PubChem (CID 17337127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).