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

C16H19FN4O2 — CID 42526363

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NC[C@H]3CCCCO3)n2)cc1F
InChIInChI=1S/C16H19FN4O2/c1-22-15-6-5-11(8-13(15)17)14-10-19-21-16(20-14)18-9-12-4-2-3-7-23-12/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,18,20,21)/t12-/m1/s1
InChIKeyMMFIGRPPCDNYNN-GFCCVEGCSA-N
MW318.35 g/mol
LogP2.67
Rot. Bonds5

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

5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine (PubChem CID 42526363) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine
PubChem CID42526363
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NC[C@H]3CCCCO3)n2)cc1F
InChIInChI=1S/C16H19FN4O2/c1-22-15-6-5-11(8-13(15)17)14-10-19-21-16(20-14)18-9-12-4-2-3-7-23-12/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,18,20,21)/t12-/m1/s1
InChIKeyMMFIGRPPCDNYNN-GFCCVEGCSA-N
XLogP2.67
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine with MolForge

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Related Compounds

5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine
CID 25369060
5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 45185714
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 114448388
methyl 2-[[3-(oxolan-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112944658
5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 169416582
5-N-tert-butyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944587
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
5-N-(4-chlorophenyl)-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944629
4-(4-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)pyridin-3-amine
CID 70663442
6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
CID 29140335
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 112944563

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine (CID 42526363) is 5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(NC[C@H]3CCCCO3)n2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine?
The InChIKey is MMFIGRPPCDNYNN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-22-15-6-5-11(8-13(15)17)14-10-19-21-16(20-14)18-9-12-4-2-3-7-23-12/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,18,20,21)/t12-/m1/s1.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine?
5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine has a molecular weight of 318.35 g/mol, XLogP of 2.67, 5 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-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 42526363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).