6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine

C11H9Cl4N5 — CID 80759661

IUPAC6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(Nc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl4N5/c1-2-16-10-18-9(15)19-11(20-10)17-8-4-6(13)5(12)3-7(8)14/h3-4H,2H2,1H3,(H2,16,17,18,19,20)
InChIKeyMOQZNFCRCMVAHN-UHFFFAOYSA-N
MW353.04 g/mol
LogP4.66
Rot. Bonds4

About 6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80759661) has the molecular formula C11H9Cl4N5 and a molecular weight of 353.04 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80759661
Molecular FormulaC11H9Cl4N5
Molecular Weight353.04 g/mol
Exact Mass350.96
IUPAC Name6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(Nc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl4N5/c1-2-16-10-18-9(15)19-11(20-10)17-8-4-6(13)5(12)3-7(8)14/h3-4H,2H2,1H3,(H2,16,17,18,19,20)
InChIKeyMOQZNFCRCMVAHN-UHFFFAOYSA-N
XLogP4.66
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.04
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-(2-chloro-5-methylphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107638979
6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107531871
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 63549392
6-chloro-4-N-ethyl-2-N-(4-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762015
2-N-(2-chlorophenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589368
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759795
5-bromo-2-N-ethyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759727

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine (CID 80759661) is 6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(Nc2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MOQZNFCRCMVAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl4N5/c1-2-16-10-18-9(15)19-11(20-10)17-8-4-6(13)5(12)3-7(8)14/h3-4H,2H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 353.04 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80759661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).