N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine

C17H14F3N7 — CID 133274103

IUPACN-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
SMILESFC(F)(F)c1cc(NCCNc2ccc3ccccc3n2)n2ncnc2n1
InChIInChI=1S/C17H14F3N7/c18-17(19,20)13-9-15(27-16(26-13)23-10-24-27)22-8-7-21-14-6-5-11-3-1-2-4-12(11)25-14/h1-6,9-10,22H,7-8H2,(H,21,25)
InChIKeyPXEPPOGYOINDDE-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.22
Rot. Bonds5

About N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine

N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine (PubChem CID 133274103) has the molecular formula C17H14F3N7 and a molecular weight of 373.34 g/mol. Its IUPAC name is N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
PubChem CID133274103
Molecular FormulaC17H14F3N7
Molecular Weight373.34 g/mol
Exact Mass373.13
IUPAC NameN-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
SMILESFC(F)(F)c1cc(NCCNc2ccc3ccccc3n2)n2ncnc2n1
InChIInChI=1S/C17H14F3N7/c18-17(19,20)13-9-15(27-16(26-13)23-10-24-27)22-8-7-21-14-6-5-11-3-1-2-4-12(11)25-14/h1-6,9-10,22H,7-8H2,(H,21,25)
InChIKeyPXEPPOGYOINDDE-UHFFFAOYSA-N
XLogP3.22
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The IUPAC name of N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine (CID 133274103) is N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine.
What is the SMILES notation for N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The canonical SMILES for N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine is FC(F)(F)c1cc(NCCNc2ccc3ccccc3n2)n2ncnc2n1.
What is the InChIKey of N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The InChIKey is PXEPPOGYOINDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7/c18-17(19,20)13-9-15(27-16(26-13)23-10-24-27)22-8-7-21-14-6-5-11-3-1-2-4-12(11)25-14/h1-6,9-10,22H,7-8H2,(H,21,25).
What are the key properties of N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine has a molecular weight of 373.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-2-yl-N'-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine is sourced from PubChem (CID 133274103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).