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

C17H22FN5 — CID 112942406

IUPAC3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(CCNc2cnnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C17H22FN5/c18-14-8-6-13(7-9-14)10-11-19-16-12-20-23-17(22-16)21-15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H2,19,21,22,23)
InChIKeyFUOIPPVJKQLYNZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.41
Rot. Bonds6

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

3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine (PubChem CID 112942406) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
PubChem CID112942406
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(CCNc2cnnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C17H22FN5/c18-14-8-6-13(7-9-14)10-11-19-16-12-20-23-17(22-16)21-15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H2,19,21,22,23)
InChIKeyFUOIPPVJKQLYNZ-UHFFFAOYSA-N
XLogP3.41
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclopropyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939128
3-N-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939328
5-N-[2-(3-chlorophenyl)ethyl]-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941693
5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112942216
3-N-cyclohexyl-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112942374
5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112939878
3-N-cycloheptyl-5-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949581
5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942291
3-N-[2-(3-chlorophenyl)ethyl]-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953667
3-N-(4-fluorophenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954384
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939131

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine (CID 112942406) is 3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine is Fc1ccc(CCNc2cnnc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is FUOIPPVJKQLYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5/c18-14-8-6-13(7-9-14)10-11-19-16-12-20-23-17(22-16)21-15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H2,19,21,22,23).
What are the key properties of 3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 315.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112942406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).