5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine

C16H21N5O — CID 112941550

IUPAC5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(C)cc1Nc1nncc(NC2CCCC2)n1
InChIInChI=1S/C16H21N5O/c1-11-7-8-14(22-2)13(9-11)19-16-20-15(10-17-21-16)18-12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H2,18,19,20,21)
InChIKeyJUWOUEKUGLAYMI-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.29
Rot. Bonds5

About 5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine

5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112941550) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112941550
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(C)cc1Nc1nncc(NC2CCCC2)n1
InChIInChI=1S/C16H21N5O/c1-11-7-8-14(22-2)13(9-11)19-16-20-15(10-17-21-16)18-12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H2,18,19,20,21)
InChIKeyJUWOUEKUGLAYMI-UHFFFAOYSA-N
XLogP3.29
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(5-chloro-2-methoxyphenyl)-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941542
5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959183
3-N-cyclohexyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942500
3-N-(2,4-dimethoxyphenyl)-5-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967673
5-N-(3,4-dimethylphenyl)-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963331
5-N-(3,5-dichlorophenyl)-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967758
5-N-(4-chlorophenyl)-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966011
3-N-(2-chlorophenyl)-5-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965788
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112956355
5-N-cycloheptyl-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959185
5-N-cyclopentyl-3-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941515
ethyl 4-[[5-(2-methoxy-5-methylanilino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956979

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 112941550) is 5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine is COc1ccc(C)cc1Nc1nncc(NC2CCCC2)n1.
What is the InChIKey of 5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is JUWOUEKUGLAYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-7-8-14(22-2)13(9-11)19-16-20-15(10-17-21-16)18-12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 299.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112941550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).