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

C15H17Cl2N5 — CID 112942543

IUPAC3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESClc1ccc(Cl)c(Nc2cnnc(NC3CCCCC3)n2)c1
InChIInChI=1S/C15H17Cl2N5/c16-10-6-7-12(17)13(8-10)20-14-9-18-22-15(21-14)19-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,19,20,21,22)
InChIKeyDOYPJBIIYPIWOX-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.67
Rot. Bonds4

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

3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112942543) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is 3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112942543
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC Name3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESClc1ccc(Cl)c(Nc2cnnc(NC3CCCCC3)n2)c1
InChIInChI=1S/C15H17Cl2N5/c16-10-6-7-12(17)13(8-10)20-14-9-18-22-15(21-14)19-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,19,20,21,22)
InChIKeyDOYPJBIIYPIWOX-UHFFFAOYSA-N
XLogP4.67
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-cyclohexyl-5-N-(2,4-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942542
5-N-(5-chloro-2-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959291
5-N-(5-chloro-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941727
3-N-cycloheptyl-5-N-(3,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959352
3-N-cycloheptyl-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959354
5-N-(5-chloro-2-methoxyphenyl)-3-N-cyclopropyl-1,2,4-triazine-3,5-diamine
CID 112939408
5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942482
3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942477
5-N-(2,5-dichlorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939069
5-N-(3-chloro-4-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959293
3-N-(5-chloro-2-methylphenyl)-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966363
3-N-(5-chloro-2-methoxyphenyl)-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941542

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine (CID 112942543) is 3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine is Clc1ccc(Cl)c(Nc2cnnc(NC3CCCCC3)n2)c1.
What is the InChIKey of 3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is DOYPJBIIYPIWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5/c16-10-6-7-12(17)13(8-10)20-14-9-18-22-15(21-14)19-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,19,20,21,22).
What are the key properties of 3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
3-N-cyclohexyl-5-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 338.24 g/mol, XLogP of 4.67, 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-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112942543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).