6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine

C10H16ClF2N5O3 — CID 118166082

IUPAC6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine
SMILESNc1nc(NCCOCCOCCOC(F)F)nnc1Cl
InChIInChI=1S/C10H16ClF2N5O3/c11-7-8(14)16-10(18-17-7)15-1-2-19-3-4-20-5-6-21-9(12)13/h9H,1-6H2,(H3,14,15,16,18)
InChIKeyPRTVJEQLAZNWSL-UHFFFAOYSA-N
MW327.72 g/mol
LogP0.79
Rot. Bonds11

About 6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine

6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine (PubChem CID 118166082) has the molecular formula C10H16ClF2N5O3 and a molecular weight of 327.72 g/mol. Its IUPAC name is 6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine
PubChem CID118166082
Molecular FormulaC10H16ClF2N5O3
Molecular Weight327.72 g/mol
Exact Mass327.09
IUPAC Name6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine
SMILESNc1nc(NCCOCCOCCOC(F)F)nnc1Cl
InChIInChI=1S/C10H16ClF2N5O3/c11-7-8(14)16-10(18-17-7)15-1-2-19-3-4-20-5-6-21-9(12)13/h9H,1-6H2,(H3,14,15,16,18)
InChIKeyPRTVJEQLAZNWSL-UHFFFAOYSA-N
XLogP0.79
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine (CID 118166082) is 6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine is Nc1nc(NCCOCCOCCOC(F)F)nnc1Cl.
What is the InChIKey of 6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is PRTVJEQLAZNWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF2N5O3/c11-7-8(14)16-10(18-17-7)15-1-2-19-3-4-20-5-6-21-9(12)13/h9H,1-6H2,(H3,14,15,16,18).
What are the key properties of 6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine?
6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 327.72 g/mol, XLogP of 0.79, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-N-[2-[2-[2-(difluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 118166082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).