8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

C19H14FN5O2 — CID 67309011

IUPAC8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(-c3ccccc3)nnc2n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C19H14FN5O2/c1-24-18(26)15-17(23-22-16(21-15)13-7-3-2-4-8-13)25(19(24)27)11-12-6-5-9-14(20)10-12/h2-10H,11H2,1H3
InChIKeyXNZUOWSPFQJRJH-UHFFFAOYSA-N
MW363.35 g/mol
LogP1.74
Rot. Bonds3

About 8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 67309011) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID67309011
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(-c3ccccc3)nnc2n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C19H14FN5O2/c1-24-18(26)15-17(23-22-16(21-15)13-7-3-2-4-8-13)25(19(24)27)11-12-6-5-9-14(20)10-12/h2-10H,11H2,1H3
InChIKeyXNZUOWSPFQJRJH-UHFFFAOYSA-N
XLogP1.74
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 67309011) is 8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)c2nc(-c3ccccc3)nnc2n(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is XNZUOWSPFQJRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c1-24-18(26)15-17(23-22-16(21-15)13-7-3-2-4-8-13)25(19(24)27)11-12-6-5-9-14(20)10-12/h2-10H,11H2,1H3.
What are the key properties of 8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 363.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 67309011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).