5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine

C17H21FN4O — CID 45208625

IUPAC5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine
SMILESCN(CCC1CCCCO1)c1nncc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H21FN4O/c1-22(9-8-15-7-2-3-10-23-15)17-20-16(12-19-21-17)13-5-4-6-14(18)11-13/h4-6,11-12,15H,2-3,7-10H2,1H3
InChIKeyNMOIBNXWRRGKAM-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.07
Rot. Bonds5

About 5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine

5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 45208625) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine
PubChem CID45208625
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine
SMILESCN(CCC1CCCCO1)c1nncc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H21FN4O/c1-22(9-8-15-7-2-3-10-23-15)17-20-16(12-19-21-17)13-5-4-6-14(18)11-13/h4-6,11-12,15H,2-3,7-10H2,1H3
InChIKeyNMOIBNXWRRGKAM-UHFFFAOYSA-N
XLogP3.07
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 25285338
N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-(3-methoxyphenyl)-N-methyl-1,2,4-triazin-3-amine
CID 42355549
5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine
CID 134700994
5-chloro-N-methyl-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine
CID 135114005
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444786
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 51937676
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118761000
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridin-2-amine
CID 26396539
5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine
CID 42526363
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide
CID 125166689
4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine
CID 162626614
(5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42371674

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine (CID 45208625) is 5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine is CN(CCC1CCCCO1)c1nncc(-c2cccc(F)c2)n1.
What is the InChIKey of 5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is NMOIBNXWRRGKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-22(9-8-15-7-2-3-10-23-15)17-20-16(12-19-21-17)13-5-4-6-14(18)11-13/h4-6,11-12,15H,2-3,7-10H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine?
5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 316.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 45208625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).