2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one

C18H17FN4O2 — CID 134291582

IUPAC2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one
SMILESCOc1ccc(Nc2nc(=O)cnn2Cc2ccccc2F)c(C)c1
InChIInChI=1S/C18H17FN4O2/c1-12-9-14(25-2)7-8-16(12)21-18-22-17(24)10-20-23(18)11-13-5-3-4-6-15(13)19/h3-10H,11H2,1-2H3,(H,21,22,24)
InChIKeyOZWKCDBDBNVMIH-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.89
Rot. Bonds5

About 2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one

2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one (PubChem CID 134291582) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one
PubChem CID134291582
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one
SMILESCOc1ccc(Nc2nc(=O)cnn2Cc2ccccc2F)c(C)c1
InChIInChI=1S/C18H17FN4O2/c1-12-9-14(25-2)7-8-16(12)21-18-22-17(24)10-20-23(18)11-13-5-3-4-6-15(13)19/h3-10H,11H2,1-2H3,(H,21,22,24)
InChIKeyOZWKCDBDBNVMIH-UHFFFAOYSA-N
XLogP2.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one (CID 134291582) is 2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one is COc1ccc(Nc2nc(=O)cnn2Cc2ccccc2F)c(C)c1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one?
The InChIKey is OZWKCDBDBNVMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-12-9-14(25-2)7-8-16(12)21-18-22-17(24)10-20-23(18)11-13-5-3-4-6-15(13)19/h3-10H,11H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one?
2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one has a molecular weight of 340.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one is sourced from PubChem (CID 134291582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).