N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C9H15Cl2N5O — CID 81035370

IUPACN-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H15Cl2N5O/c1-16(5-6-17-2)4-3-12-8-7(10)14-15-9(11)13-8/h3-6H2,1-2H3,(H,12,13,15)
InChIKeyGQYOANYEBYEJAZ-UHFFFAOYSA-N
MW280.16 g/mol
LogP1.17
Rot. Bonds7

About N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 81035370) has the molecular formula C9H15Cl2N5O and a molecular weight of 280.16 g/mol. Its IUPAC name is N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID81035370
Molecular FormulaC9H15Cl2N5O
Molecular Weight280.16 g/mol
Exact Mass279.07
IUPAC NameN-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H15Cl2N5O/c1-16(5-6-17-2)4-3-12-8-7(10)14-15-9(11)13-8/h3-6H2,1-2H3,(H,12,13,15)
InChIKeyGQYOANYEBYEJAZ-UHFFFAOYSA-N
XLogP1.17
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

N-(3-chloropyrazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62849226
6-chloro-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80824728
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
CID 81035871
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 81036688
3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine
CID 82943113
N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 115355108
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62863316
methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate
CID 62848698
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine
CID 80825681
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844860
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
CID 104731385

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 81035370) is N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNc1nc(Cl)nnc1Cl.
What is the InChIKey of N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is GQYOANYEBYEJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2N5O/c1-16(5-6-17-2)4-3-12-8-7(10)14-15-9(11)13-8/h3-6H2,1-2H3,(H,12,13,15).
What are the key properties of N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 280.16 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 81035370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).