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

C17H23N5 — CID 112942216

IUPAC5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESc1ccc(CCNc2nncc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C17H23N5/c1-3-7-14(8-4-1)11-12-18-17-21-16(13-19-22-17)20-15-9-5-2-6-10-15/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H2,18,20,21,22)
InChIKeySSGBQOBECQMKAL-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.27
Rot. Bonds6

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

5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112942216) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112942216
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESc1ccc(CCNc2nncc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C17H23N5/c1-3-7-14(8-4-1)11-12-18-17-21-16(13-19-22-17)20-15-9-5-2-6-10-15/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H2,18,20,21,22)
InChIKeySSGBQOBECQMKAL-UHFFFAOYSA-N
XLogP3.27
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.27
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,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952784
5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939131
5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938496
3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112942406
5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112942263
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112942256
3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112950361
3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938729
3-N-[(4-chlorophenyl)methyl]-5-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942208
5-N-[2-(3-chlorophenyl)ethyl]-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941693

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine (CID 112942216) is 5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine is c1ccc(CCNc2nncc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is SSGBQOBECQMKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-3-7-14(8-4-1)11-12-18-17-21-16(13-19-22-17)20-15-9-5-2-6-10-15/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H2,18,20,21,22).
What are the key properties of 5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 297.41 g/mol, XLogP of 3.27, 6 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-(2-phenylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112942216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).