3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine

C10H14Cl2N4O — CID 81035469

IUPAC3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine
SMILESCN1CCCC1CCOc1nc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N4O/c1-16-5-2-3-7(16)4-6-17-9-8(11)14-15-10(12)13-9/h7H,2-6H2,1H3
InChIKeyGSJNMHJIVUXHML-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.04
Rot. Bonds4

About 3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine

3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine (PubChem CID 81035469) has the molecular formula C10H14Cl2N4O and a molecular weight of 277.15 g/mol. Its IUPAC name is 3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine
PubChem CID81035469
Molecular FormulaC10H14Cl2N4O
Molecular Weight277.15 g/mol
Exact Mass276.05
IUPAC Name3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine
SMILESCN1CCCC1CCOc1nc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N4O/c1-16-5-2-3-7(16)4-6-17-9-8(11)14-15-10(12)13-9/h7H,2-6H2,1H3
InChIKeyGSJNMHJIVUXHML-UHFFFAOYSA-N
XLogP2.04
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propan-2-ylpyrimidine
CID 55231010
2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
CID 62477621
2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine
CID 168910926
5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile
CID 80505942
3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine
CID 61269546
N-ethyl-5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80870503
3,6-dichloro-5-ethoxy-1,2,4-triazine
CID 81037904
4-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,3,5-triazin-2-amine
CID 80870804
N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80870420
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazin-2-amine
CID 80648161
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine
CID 80879280

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine (CID 81035469) is 3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine is CN1CCCC1CCOc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine?
The InChIKey is GSJNMHJIVUXHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4O/c1-16-5-2-3-7(16)4-6-17-9-8(11)14-15-10(12)13-9/h7H,2-6H2,1H3.
What are the key properties of 3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine?
3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine has a molecular weight of 277.15 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine is sourced from PubChem (CID 81035469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).