6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane

C7H11ClF3N5 — CID 88700506

IUPAC6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane
SMILESC.CCNc1nc(Cl)nc(NC(F)(F)F)n1
InChIInChI=1S/C6H7ClF3N5.CH4/c1-2-11-4-12-3(7)13-5(14-4)15-6(8,9)10;/h2H2,1H3,(H2,11,12,13,14,15);1H4
InChIKeyHHRQACALNNVVJY-UHFFFAOYSA-N
MW257.65 g/mol
LogP2.52
Rot. Bonds3

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

6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane (PubChem CID 88700506) has the molecular formula C7H11ClF3N5 and a molecular weight of 257.65 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane
PubChem CID88700506
Molecular FormulaC7H11ClF3N5
Molecular Weight257.65 g/mol
Exact Mass257.07
IUPAC Name6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane
SMILESC.CCNc1nc(Cl)nc(NC(F)(F)F)n1
InChIInChI=1S/C6H7ClF3N5.CH4/c1-2-11-4-12-3(7)13-5(14-4)15-6(8,9)10;/h2H2,1H3,(H2,11,12,13,14,15);1H4
InChIKeyHHRQACALNNVVJY-UHFFFAOYSA-N
XLogP2.52
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 779516
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine
CID 106219612
2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 12871
1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159595
6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80769439
6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80776835
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane (CID 88700506) is 6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane is C.CCNc1nc(Cl)nc(NC(F)(F)F)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane?
The InChIKey is HHRQACALNNVVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF3N5.CH4/c1-2-11-4-12-3(7)13-5(14-4)15-6(8,9)10;/h2H2,1H3,(H2,11,12,13,14,15);1H4.
What are the key properties of 6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane?
6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane has a molecular weight of 257.65 g/mol, XLogP of 2.52, 3 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-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane is sourced from PubChem (CID 88700506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).