(6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one

C14H16N4O — CID 98282067

IUPAC(6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
SMILESCC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(C)nn21
InChIInChI=1S/C14H16N4O/c1-4-14(3)16-11-8-6-5-7-10(11)12-15-13(19)9(2)17-18(12)14/h5-8,16H,4H2,1-3H3/t14-/m0/s1
InChIKeyLWTOWKUISCXHTB-AWEZNQCLSA-N
MW256.31 g/mol
LogP2.12
Rot. Bonds1

About (6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one

(6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one (PubChem CID 98282067) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one.

Molecular Properties

Compound Name(6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
PubChem CID98282067
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
SMILESCC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(C)nn21
InChIInChI=1S/C14H16N4O/c1-4-14(3)16-11-8-6-5-7-10(11)12-15-13(19)9(2)17-18(12)14/h5-8,16H,4H2,1-3H3/t14-/m0/s1
InChIKeyLWTOWKUISCXHTB-AWEZNQCLSA-N
XLogP2.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one with MolForge

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Related Compounds

(6S)-6-hexyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 98282083
(6R)-3-(4-fluorophenyl)-6-hexyl-6-methyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 98282069
6-[2-(4-chlorophenyl)ethenyl]-3-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid
CID 126819672
(2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
CID 29102767
(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 29102769
1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one
CID 71912959
3-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid
CID 136544792
(6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 95317575
3-[(5S)-2-(3-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanoic acid
CID 137124891
(6R)-3-methyl-6-(trichloromethyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 95972383
3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid
CID 86806690
(6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid
CID 98300944

Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The IUPAC name of (6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one (CID 98282067) is (6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one.
What is the SMILES notation for (6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The canonical SMILES for (6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one is CC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(C)nn21.
What is the InChIKey of (6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The InChIKey is LWTOWKUISCXHTB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16N4O/c1-4-14(3)16-11-8-6-5-7-10(11)12-15-13(19)9(2)17-18(12)14/h5-8,16H,4H2,1-3H3/t14-/m0/s1.
What are the key properties of (6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one?
(6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one has a molecular weight of 256.31 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one is sourced from PubChem (CID 98282067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).