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

C15H18FN5 — CID 112942477

IUPAC3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccccc1Nc1cnnc(NC2CCCCC2)n1
InChIInChI=1S/C15H18FN5/c16-12-8-4-5-9-13(12)19-14-10-17-21-15(20-14)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H2,18,19,20,21)
InChIKeyAWAOTIUUZIZTEG-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.50
Rot. Bonds4

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

3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112942477) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112942477
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccccc1Nc1cnnc(NC2CCCCC2)n1
InChIInChI=1S/C15H18FN5/c16-12-8-4-5-9-13(12)19-14-10-17-21-15(20-14)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H2,18,19,20,21)
InChIKeyAWAOTIUUZIZTEG-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

3-N-cycloheptyl-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959354
3-N-cyclohexyl-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942495
3-N-cycloheptyl-5-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949581
5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942482
3-N-cyclohexyl-5-N-(2,4-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942542
3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942543
3-N-cyclopentyl-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112941742
5-N-(5-chloro-2-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959291
2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112934451
5-N-(5-chloro-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941727
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068
3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939384

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112942477) is 3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine is Fc1ccccc1Nc1cnnc(NC2CCCCC2)n1.
What is the InChIKey of 3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is AWAOTIUUZIZTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c16-12-8-4-5-9-13(12)19-14-10-17-21-15(20-14)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H2,18,19,20,21).
What are the key properties of 3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine?
3-N-cyclohexyl-5-N-(2-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 3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112942477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).