5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine

C18H17FN4O2 — CID 25455645

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCc3ccccc3OC)n2)cc1F
InChIInChI=1S/C18H17FN4O2/c1-24-16-6-4-3-5-13(16)10-20-18-22-15(11-21-23-18)12-7-8-17(25-2)14(19)9-12/h3-9,11H,10H2,1-2H3,(H,20,22,23)
InChIKeyNMWYGYYMUKFKLV-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.31
Rot. Bonds6

About 5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine

5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine (PubChem CID 25455645) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
PubChem CID25455645
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCc3ccccc3OC)n2)cc1F
InChIInChI=1S/C18H17FN4O2/c1-24-16-6-4-3-5-13(16)10-20-18-22-15(11-21-23-18)12-7-8-17(25-2)14(19)9-12/h3-9,11H,10H2,1-2H3,(H,20,22,23)
InChIKeyNMWYGYYMUKFKLV-UHFFFAOYSA-N
XLogP3.31
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine (CID 25455645) is 5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(NCc3ccccc3OC)n2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is NMWYGYYMUKFKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-24-16-6-4-3-5-13(16)10-20-18-22-15(11-21-23-18)12-7-8-17(25-2)14(19)9-12/h3-9,11H,10H2,1-2H3,(H,20,22,23).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 340.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 25455645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).