5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine

C12H15N5O — CID 112943370

IUPAC5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCOCCNc1cnnc(Nc2ccccc2)n1
InChIInChI=1S/C12H15N5O/c1-18-8-7-13-11-9-14-17-12(16-11)15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,13,15,16,17)
InChIKeyVFIJMQUHYQLAEO-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.67
Rot. Bonds6

About 5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine

5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112943370) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112943370
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCOCCNc1cnnc(Nc2ccccc2)n1
InChIInChI=1S/C12H15N5O/c1-18-8-7-13-11-9-14-17-12(16-11)15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,13,15,16,17)
InChIKeyVFIJMQUHYQLAEO-UHFFFAOYSA-N
XLogP1.67
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(2-methoxyethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112943506
3-N-(2,6-difluorophenyl)-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943475
5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112943387
ethyl 4-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112943452
2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112943470
3-N-(2-methoxyethyl)-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112943558
3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958741
3-N-(2-ethyl-6-methylphenyl)-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943386
3-N-(3-methoxypropyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112943993
5-N-(3-bromophenyl)-3-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943630
3-N-(3-bromo-4-methylphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943778
5-N-(2,6-dimethylphenyl)-3-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943567

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112943370) is 5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine is COCCNc1cnnc(Nc2ccccc2)n1.
What is the InChIKey of 5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is VFIJMQUHYQLAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-18-8-7-13-11-9-14-17-12(16-11)15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,13,15,16,17).
What are the key properties of 5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine?
5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 245.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112943370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).