5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine

C17H24FN5 — CID 112953666

IUPAC5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1nncc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C17H24FN5/c1-3-11-23(12-4-2)17-21-16(13-20-22-17)19-10-9-14-5-7-15(18)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,21,22)
InChIKeyJIUXDFDWSQISDS-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.29
Rot. Bonds9

About 5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine

5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine (PubChem CID 112953666) has the molecular formula C17H24FN5 and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
PubChem CID112953666
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC Name5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1nncc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C17H24FN5/c1-3-11-23(12-4-2)17-21-16(13-20-22-17)19-10-9-14-5-7-15(18)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,21,22)
InChIKeyJIUXDFDWSQISDS-UHFFFAOYSA-N
XLogP3.29
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112943365
5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112947577
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112956312
3-N-benzyl-3-N-ethyl-5-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949867
5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953783
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112951342
3-N-(2-ethylphenyl)-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953682
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80785034
5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112938774
3-N-(4-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954384
3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112954374
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112921302

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine (CID 112953666) is 5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine is CCCN(CCC)c1nncc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The InChIKey is JIUXDFDWSQISDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5/c1-3-11-23(12-4-2)17-21-16(13-20-22-17)19-10-9-14-5-7-15(18)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,21,22).
What are the key properties of 5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine has a molecular weight of 317.41 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112953666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).