1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one

C21H21N5O — CID 71912959

IUPAC1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)Nc1ccccc1-c1nc(=O)c(-c3ccccc3)nn12
InChIInChI=1S/C21H21N5O/c1-25-13-11-21(12-14-25)23-17-10-6-5-9-16(17)19-22-20(27)18(24-26(19)21)15-7-3-2-4-8-15/h2-10,23H,11-14H2,1H3
InChIKeySDFYKNFKDWLGPB-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.78
Rot. Bonds1

About 1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one

1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one (PubChem CID 71912959) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one
PubChem CID71912959
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)Nc1ccccc1-c1nc(=O)c(-c3ccccc3)nn12
InChIInChI=1S/C21H21N5O/c1-25-13-11-21(12-14-25)23-17-10-6-5-9-16(17)19-22-20(27)18(24-26(19)21)15-7-3-2-4-8-15/h2-10,23H,11-14H2,1H3
InChIKeySDFYKNFKDWLGPB-UHFFFAOYSA-N
XLogP2.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one?
The IUPAC name of 1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one (CID 71912959) is 1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one.
What is the SMILES notation for 1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one?
The canonical SMILES for 1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one is CN1CCC2(CC1)Nc1ccccc1-c1nc(=O)c(-c3ccccc3)nn12.
What is the InChIKey of 1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one?
The InChIKey is SDFYKNFKDWLGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-25-13-11-21(12-14-25)23-17-10-6-5-9-16(17)19-22-20(27)18(24-26(19)21)15-7-3-2-4-8-15/h2-10,23H,11-14H2,1H3.
What are the key properties of 1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one?
1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one has a molecular weight of 359.43 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one is sourced from PubChem (CID 71912959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).