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

C10H11ClF3N7 — CID 62863958

IUPAC4-chloro-N-propyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C10H11ClF3N7/c1-2-3-20(4-10(12,13)14)8-17-7(11)18-9(19-8)21-6-15-5-16-21/h5-6H,2-4H2,1H3
InChIKeyNMHZAVJPUKRFJT-UHFFFAOYSA-N
MW321.69 g/mol
LogP1.88
Rot. Bonds5

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

4-chloro-N-propyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 62863958) has the molecular formula C10H11ClF3N7 and a molecular weight of 321.69 g/mol. Its IUPAC name is 4-chloro-N-propyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-propyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID62863958
Molecular FormulaC10H11ClF3N7
Molecular Weight321.69 g/mol
Exact Mass321.07
IUPAC Name4-chloro-N-propyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C10H11ClF3N7/c1-2-3-20(4-10(12,13)14)8-17-7(11)18-9(19-8)21-6-15-5-16-21/h5-6H,2-4H2,1H3
InChIKeyNMHZAVJPUKRFJT-UHFFFAOYSA-N
XLogP1.88
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.69
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-propyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propyl-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-propyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 62863958) is 4-chloro-N-propyl-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-propyl-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-propyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CCCN(CC(F)(F)F)c1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 4-chloro-N-propyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is NMHZAVJPUKRFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N7/c1-2-3-20(4-10(12,13)14)8-17-7(11)18-9(19-8)21-6-15-5-16-21/h5-6H,2-4H2,1H3.
What are the key properties of 4-chloro-N-propyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-N-propyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 321.69 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).