4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C9H9ClF3N7 — CID 62864832

IUPAC4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCN(CC(F)(F)F)c1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C9H9ClF3N7/c1-2-19(3-9(11,12)13)7-16-6(10)17-8(18-7)20-5-14-4-15-20/h4-5H,2-3H2,1H3
InChIKeyOXGJMWIRGKDHCB-UHFFFAOYSA-N
MW307.67 g/mol
LogP1.49
Rot. Bonds4

About 4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 62864832) has the molecular formula C9H9ClF3N7 and a molecular weight of 307.67 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID62864832
Molecular FormulaC9H9ClF3N7
Molecular Weight307.67 g/mol
Exact Mass307.06
IUPAC Name4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCN(CC(F)(F)F)c1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C9H9ClF3N7/c1-2-19(3-9(11,12)13)7-16-6(10)17-8(18-7)20-5-14-4-15-20/h4-5H,2-3H2,1H3
InChIKeyOXGJMWIRGKDHCB-UHFFFAOYSA-N
XLogP1.49
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.67
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 62864832) is 4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CCN(CC(F)(F)F)c1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is OXGJMWIRGKDHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N7/c1-2-19(3-9(11,12)13)7-16-6(10)17-8(18-7)20-5-14-4-15-20/h4-5H,2-3H2,1H3.
What are the key properties of 4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 307.67 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).