3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine

C13H24ClN5O4 — CID 118166070

IUPAC3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine
SMILESCOCCOCC(C)(COCCOC)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C13H24ClN5O4/c1-13(8-22-6-4-20-2,9-23-7-5-21-3)17-12-16-11(15)10(14)18-19-12/h4-9H2,1-3H3,(H3,15,16,17,19)
InChIKeyABPGIRIBSYIPBA-UHFFFAOYSA-N
MW349.82 g/mol
LogP0.60
Rot. Bonds12

About 3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine

3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine (PubChem CID 118166070) has the molecular formula C13H24ClN5O4 and a molecular weight of 349.82 g/mol. Its IUPAC name is 3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine
PubChem CID118166070
Molecular FormulaC13H24ClN5O4
Molecular Weight349.82 g/mol
Exact Mass349.15
IUPAC Name3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine
SMILESCOCCOCC(C)(COCCOC)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C13H24ClN5O4/c1-13(8-22-6-4-20-2,9-23-7-5-21-3)17-12-16-11(15)10(14)18-19-12/h4-9H2,1-3H3,(H3,15,16,17,19)
InChIKeyABPGIRIBSYIPBA-UHFFFAOYSA-N
XLogP0.60
TPSA113.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine 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

3-(2-methoxyethoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64803416
CID 172826348
CID 172826348
6-chloro-3-N-(3-methylbutan-2-yl)-1,2,4-triazine-3,5-diamine
CID 130617357
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
2-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]ethoxy]ethyl methyl carbonate
CID 118166347
6-chloro-3-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine;3,6-dichloro-1,2,4-triazin-5-amine;methane;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine
CID 158751405
3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
CID 70688451
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropan-1-ol
CID 113427544
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
4-N-[2-(2-methoxyethoxy)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80813103

Frequently Asked Questions

What is the IUPAC name of 3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine (CID 118166070) is 3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine is COCCOCC(C)(COCCOC)Nc1nnc(Cl)c(N)n1.
What is the InChIKey of 3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine?
The InChIKey is ABPGIRIBSYIPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5O4/c1-13(8-22-6-4-20-2,9-23-7-5-21-3)17-12-16-11(15)10(14)18-19-12/h4-9H2,1-3H3,(H3,15,16,17,19).
What are the key properties of 3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine?
3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine has a molecular weight of 349.82 g/mol, XLogP of 0.60, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 118166070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).