N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine

C18H24FN5 — CID 42157501

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCN(C)C1(CNc2nncc(-c3ccccc3F)n2)CCCCC1
InChIInChI=1S/C18H24FN5/c1-24(2)18(10-6-3-7-11-18)13-20-17-22-16(12-21-23-17)14-8-4-5-9-15(14)19/h4-5,8-9,12H,3,6-7,10-11,13H2,1-2H3,(H,20,22,23)
InChIKeyNHAXVLYVKFNBJE-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.35
Rot. Bonds5

About N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine

N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 42157501) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID42157501
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCN(C)C1(CNc2nncc(-c3ccccc3F)n2)CCCCC1
InChIInChI=1S/C18H24FN5/c1-24(2)18(10-6-3-7-11-18)13-20-17-22-16(12-21-23-17)14-8-4-5-9-15(14)19/h4-5,8-9,12H,3,6-7,10-11,13H2,1-2H3,(H,20,22,23)
InChIKeyNHAXVLYVKFNBJE-UHFFFAOYSA-N
XLogP3.35
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine with MolForge

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Related Compounds

5-Phenyl-1,2,4-triazin-3-amine
CID 97081
6-Phenyl-1,2,4-triazin-3-amine
CID 120468
6-(4-Fluorophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 618001
N-cyclohexyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404647
5-Phenyl-3-(piperidin-1-yl)-1,2,4-triazine
CID 6400923
N-benzyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404644
1-[(E)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine
CID 21949750
5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 28358543
as-Triazine, 3-hydrazino-5-phenyl-
CID 98542
as-Triazine, 3-(2-methylhydrazino)-5-phenyl-
CID 3053019
3-Hydrazino-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-1,2,4-triazine
CID 3053054
5-(3,4-Difluorophenyl)-3-methylsulfanyl-1,2,4-triazine
CID 3244755

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine (CID 42157501) is N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine is CN(C)C1(CNc2nncc(-c3ccccc3F)n2)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is NHAXVLYVKFNBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-24(2)18(10-6-3-7-11-18)13-20-17-22-16(12-21-23-17)14-8-4-5-9-15(14)19/h4-5,8-9,12H,3,6-7,10-11,13H2,1-2H3,(H,20,22,23).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 329.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42157501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).