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

C16H20ClN5 — CID 112942482

IUPAC5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
SMILESCc1c(Cl)cccc1Nc1cnnc(NC2CCCCC2)n1
InChIInChI=1S/C16H20ClN5/c1-11-13(17)8-5-9-14(11)20-15-10-18-22-16(21-15)19-12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H2,19,20,21,22)
InChIKeyONGZRHIMMGWDJU-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.32
Rot. Bonds4

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

5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine (PubChem CID 112942482) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
PubChem CID112942482
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC Name5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
SMILESCc1c(Cl)cccc1Nc1cnnc(NC2CCCCC2)n1
InChIInChI=1S/C16H20ClN5/c1-11-13(17)8-5-9-14(11)20-15-10-18-22-16(21-15)19-12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H2,19,20,21,22)
InChIKeyONGZRHIMMGWDJU-UHFFFAOYSA-N
XLogP4.32
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.32
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-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939384
5-N-(5-chloro-2-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959291
5-N-cycloheptyl-3-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959237
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-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942477
3-N-(3-chloro-2-methylphenyl)-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966249
5-N-(5-chloro-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941727
5-N-(3-chloro-4-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959293
5-N-(3-chloro-2-methylphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961869
3-N-cyclohexyl-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942495

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine (CID 112942482) is 5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine is Cc1c(Cl)cccc1Nc1cnnc(NC2CCCCC2)n1.
What is the InChIKey of 5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine?
The InChIKey is ONGZRHIMMGWDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-11-13(17)8-5-9-14(11)20-15-10-18-22-16(21-15)19-12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H2,19,20,21,22).
What are the key properties of 5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine?
5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine has a molecular weight of 317.82 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112942482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).