2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate

C15H17Cl2N5O4 — CID 129013631

IUPAC2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate
SMILESCOCCOCCOC(=O)Nc1nc(N)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2N5O4/c1-24-5-6-25-7-8-26-15(23)20-13-12(21-22-14(18)19-13)9-3-2-4-10(16)11(9)17/h2-4H,5-8H2,1H3,(H3,18,19,20,22,23)
InChIKeyDUPYCOCJFDJZEP-UHFFFAOYSA-N
MW402.24 g/mol
LogP2.64
Rot. Bonds8

About 2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate

2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate (PubChem CID 129013631) has the molecular formula C15H17Cl2N5O4 and a molecular weight of 402.24 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate
PubChem CID129013631
Molecular FormulaC15H17Cl2N5O4
Molecular Weight402.24 g/mol
Exact Mass401.07
IUPAC Name2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate
SMILESCOCCOCCOC(=O)Nc1nc(N)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2N5O4/c1-24-5-6-25-7-8-26-15(23)20-13-12(21-22-14(18)19-13)9-3-2-4-10(16)11(9)17/h2-4H,5-8H2,1H3,(H3,18,19,20,22,23)
InChIKeyDUPYCOCJFDJZEP-UHFFFAOYSA-N
XLogP2.64
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate (CID 129013631) is 2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate is COCCOCCOC(=O)Nc1nc(N)nnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate?
The InChIKey is DUPYCOCJFDJZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O4/c1-24-5-6-25-7-8-26-15(23)20-13-12(21-22-14(18)19-13)9-3-2-4-10(16)11(9)17/h2-4H,5-8H2,1H3,(H3,18,19,20,22,23).
What are the key properties of 2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate?
2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate has a molecular weight of 402.24 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl N-[3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-yl]carbamate is sourced from PubChem (CID 129013631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).