5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine

C19H20FN5O — CID 45205145

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NC(C)Cc3cccc(C)n3)n2)cc1F
InChIInChI=1S/C19H20FN5O/c1-12-5-4-6-15(22-12)9-13(2)23-19-24-17(11-21-25-19)14-7-8-18(26-3)16(20)10-14/h4-8,10-11,13H,9H2,1-3H3,(H,23,24,25)
InChIKeyGBAOLYVMVZXOCS-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.43
Rot. Bonds6

About 5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine

5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine (PubChem CID 45205145) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine
PubChem CID45205145
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NC(C)Cc3cccc(C)n3)n2)cc1F
InChIInChI=1S/C19H20FN5O/c1-12-5-4-6-15(22-12)9-13(2)23-19-24-17(11-21-25-19)14-7-8-18(26-3)16(20)10-14/h4-8,10-11,13H,9H2,1-3H3,(H,23,24,25)
InChIKeyGBAOLYVMVZXOCS-UHFFFAOYSA-N
XLogP3.43
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.43
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-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine (CID 45205145) is 5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(NC(C)Cc3cccc(C)n3)n2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine?
The InChIKey is GBAOLYVMVZXOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-12-5-4-6-15(22-12)9-13(2)23-19-24-17(11-21-25-19)14-7-8-18(26-3)16(20)10-14/h4-8,10-11,13H,9H2,1-3H3,(H,23,24,25).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine?
5-(3-fluoro-4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine has a molecular weight of 353.40 g/mol, XLogP of 3.43, 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-[1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 45205145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).