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

C15H18FN5 — CID 112942291

IUPAC5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(Nc2nncc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H18FN5/c16-11-6-8-13(9-7-11)19-15-20-14(10-17-21-15)18-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,18,19,20,21)
InChIKeyXTCYCMJOHCSCBY-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.50
Rot. Bonds4

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

5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112942291) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112942291
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(Nc2nncc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H18FN5/c16-11-6-8-13(9-7-11)19-15-20-14(10-17-21-15)18-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,18,19,20,21)
InChIKeyXTCYCMJOHCSCBY-UHFFFAOYSA-N
XLogP3.50
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclopentyl-3-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112941558
5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112941612
5-N-cycloheptyl-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959185
4-[[5-(cycloheptylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112959244
4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112941608
5-N-cyclopentyl-3-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941515
5-N-cycloheptyl-3-N-(3,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959235
3-N-(3-bromophenyl)-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959218
3-N-(3-chloro-4-methylphenyl)-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941538
5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959183
3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112942406
3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959280

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112942291) is 5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine is Fc1ccc(Nc2nncc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is XTCYCMJOHCSCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c16-11-6-8-13(9-7-11)19-15-20-14(10-17-21-15)18-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,18,19,20,21).
What are the key properties of 5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine?
5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 287.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112942291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).