2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile

C13H14N6O — CID 112943470

IUPAC2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
SMILESCOCCNc1cnnc(Nc2ccccc2C#N)n1
InChIInChI=1S/C13H14N6O/c1-20-7-6-15-12-9-16-19-13(18-12)17-11-5-3-2-4-10(11)8-14/h2-5,9H,6-7H2,1H3,(H2,15,17,18,19)
InChIKeyRXOHRPZRHUIUHF-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.55
Rot. Bonds6

About 2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile

2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile (PubChem CID 112943470) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
PubChem CID112943470
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
SMILESCOCCNc1cnnc(Nc2ccccc2C#N)n1
InChIInChI=1S/C13H14N6O/c1-20-7-6-15-12-9-16-19-13(18-12)17-11-5-3-2-4-10(11)8-14/h2-5,9H,6-7H2,1H3,(H2,15,17,18,19)
InChIKeyRXOHRPZRHUIUHF-UHFFFAOYSA-N
XLogP1.55
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-[2-(4-methoxyphenoxy)ethylamino]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112958724
2-[[3-(3-methoxypropylamino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112944023
2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112911497
5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112943387
5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112943370
2-[[3-(propylamino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112938680
2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112880366
2-[[3-(2-chloroanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112965838
2-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112963550
2-[(3-anilino-1,2,4-triazin-5-yl)amino]benzonitrile
CID 112961729
3-N-(2,6-difluorophenyl)-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943475
3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943782

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile?
The IUPAC name of 2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile (CID 112943470) is 2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile?
The canonical SMILES for 2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile is COCCNc1cnnc(Nc2ccccc2C#N)n1.
What is the InChIKey of 2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile?
The InChIKey is RXOHRPZRHUIUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-20-7-6-15-12-9-16-19-13(18-12)17-11-5-3-2-4-10(11)8-14/h2-5,9H,6-7H2,1H3,(H2,15,17,18,19).
What are the key properties of 2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile?
2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile has a molecular weight of 270.30 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile is sourced from PubChem (CID 112943470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).