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

C17H21Cl2N5 — CID 112942263

IUPAC5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESClc1ccc(CCNc2nncc(NC3CCCCC3)n2)c(Cl)c1
InChIInChI=1S/C17H21Cl2N5/c18-13-7-6-12(15(19)10-13)8-9-20-17-23-16(11-21-24-17)22-14-4-2-1-3-5-14/h6-7,10-11,14H,1-5,8-9H2,(H2,20,22,23,24)
InChIKeyLPUCWXGHWDOFHD-UHFFFAOYSA-N
MW366.30 g/mol
LogP4.58
Rot. Bonds6

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

5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine (PubChem CID 112942263) has the molecular formula C17H21Cl2N5 and a molecular weight of 366.30 g/mol. Its IUPAC name is 5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
PubChem CID112942263
Molecular FormulaC17H21Cl2N5
Molecular Weight366.30 g/mol
Exact Mass365.12
IUPAC Name5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESClc1ccc(CCNc2nncc(NC3CCCCC3)n2)c(Cl)c1
InChIInChI=1S/C17H21Cl2N5/c18-13-7-6-12(15(19)10-13)8-9-20-17-23-16(11-21-24-17)22-14-4-2-1-3-5-14/h6-7,10-11,14H,1-5,8-9H2,(H2,20,22,23,24)
InChIKeyLPUCWXGHWDOFHD-UHFFFAOYSA-N
XLogP4.58
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[(4-chlorophenyl)methyl]-5-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942208
5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112942216
4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112855896
3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112950361
3-N-[(2-chlorophenyl)methyl]-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941447
3-N-cyclohexyl-5-N-(2,4-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942542
5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938496
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112961243
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939761
5-N-[2-(3-chlorophenyl)ethyl]-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941693
3-N-(4-chlorophenyl)-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112961209
3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112959021

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine (CID 112942263) is 5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine is Clc1ccc(CCNc2nncc(NC3CCCCC3)n2)c(Cl)c1.
What is the InChIKey of 5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is LPUCWXGHWDOFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5/c18-13-7-6-12(15(19)10-13)8-9-20-17-23-16(11-21-24-17)22-14-4-2-1-3-5-14/h6-7,10-11,14H,1-5,8-9H2,(H2,20,22,23,24).
What are the key properties of 5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 366.30 g/mol, XLogP of 4.58, 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-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112942263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).