3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine

C16H21FN6O — CID 112945086

IUPAC3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccccc1CNc1nncc(NCCN2CCOCC2)n1
InChIInChI=1S/C16H21FN6O/c17-14-4-2-1-3-13(14)11-19-16-21-15(12-20-22-16)18-5-6-23-7-9-24-10-8-23/h1-4,12H,5-11H2,(H2,18,19,21,22)
InChIKeyVFYSDJCUZPPYLR-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.37
Rot. Bonds7

About 3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine

3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112945086) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112945086
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccccc1CNc1nncc(NCCN2CCOCC2)n1
InChIInChI=1S/C16H21FN6O/c17-14-4-2-1-3-13(14)11-19-16-21-15(12-20-22-16)18-5-6-23-7-9-24-10-8-23/h1-4,12H,5-11H2,(H2,18,19,21,22)
InChIKeyVFYSDJCUZPPYLR-UHFFFAOYSA-N
XLogP1.37
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

3-N-(2-morpholin-4-ylethyl)-5-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112945265
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945310
3-N-(2,6-dimethylphenyl)-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945153
3-N-[(2-fluorophenyl)methyl]-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112949746
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112870386
5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945299
5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945329
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945103
5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945274
5-N-[(2-fluorophenyl)methyl]-3-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112949584
2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887432
5-N-cycloheptyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945300

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine (CID 112945086) is 3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine is Fc1ccccc1CNc1nncc(NCCN2CCOCC2)n1.
What is the InChIKey of 3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is VFYSDJCUZPPYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O/c17-14-4-2-1-3-13(14)11-19-16-21-15(12-20-22-16)18-5-6-23-7-9-24-10-8-23/h1-4,12H,5-11H2,(H2,18,19,21,22).
What are the key properties of 3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 332.38 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112945086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).