6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one

C19H18N4O — CID 75445180

IUPAC6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
SMILESCCC1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21
InChIInChI=1S/C19H18N4O/c1-3-19(2)21-15-12-8-7-11-14(15)17-20-18(24)16(22-23(17)19)13-9-5-4-6-10-13/h4-12,21H,3H2,1-2H3
InChIKeyZENRSNXZUXNAKU-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.48
Rot. Bonds2

About 6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one

6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one (PubChem CID 75445180) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one.

Molecular Properties

Compound Name6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
PubChem CID75445180
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
SMILESCCC1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21
InChIInChI=1S/C19H18N4O/c1-3-19(2)21-15-12-8-7-11-14(15)17-20-18(24)16(22-23(17)19)13-9-5-4-6-10-13/h4-12,21H,3H2,1-2H3
InChIKeyZENRSNXZUXNAKU-UHFFFAOYSA-N
XLogP3.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The IUPAC name of 6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one (CID 75445180) is 6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one.
What is the SMILES notation for 6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The canonical SMILES for 6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one is CCC1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21.
What is the InChIKey of 6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The InChIKey is ZENRSNXZUXNAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-3-19(2)21-15-12-8-7-11-14(15)17-20-18(24)16(22-23(17)19)13-9-5-4-6-10-13/h4-12,21H,3H2,1-2H3.
What are the key properties of 6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one?
6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one has a molecular weight of 318.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one is sourced from PubChem (CID 75445180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).