5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline

C10H9F3N4 — CID 618039

IUPAC5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline
SMILESFC(F)(F)c1nc2ncnn2c2c1CCCC2
InChIInChI=1S/C10H9F3N4/c11-10(12,13)8-6-3-1-2-4-7(6)17-9(16-8)14-5-15-17/h5H,1-4H2
InChIKeyBEIGJKUOGJYDTC-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.02
Rot. Bonds

About 5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline

5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline (PubChem CID 618039) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline
PubChem CID618039
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline
SMILESFC(F)(F)c1nc2ncnn2c2c1CCCC2
InChIInChI=1S/C10H9F3N4/c11-10(12,13)8-6-3-1-2-4-7(6)17-9(16-8)14-5-15-17/h5H,1-4H2
InChIKeyBEIGJKUOGJYDTC-UHFFFAOYSA-N
XLogP2.02
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline with MolForge

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Related Compounds

Ametoctradin
CID 15604010
9-(Trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 671576
9-Piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 1448285
9-Methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline
CID 1481962
7-Methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline
CID 4223538
5-Trifluoromethyl-7,8,9,10-tetrahydro-6H-2,3,4,10b-tetraaza-cyclohepta[e]indene
CID 654120
6-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 3231156
6,7,8,9-Tetrahydrotetrazolo[1,5-a]quinazoline
CID 2319614
5-Tert-butyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 2925368
6-(cyclohexylmethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 177377402
5,7-Dimethyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 162403043
1-{5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}pyrrolidine
CID 46094469

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline?
The IUPAC name of 5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline (CID 618039) is 5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline?
The canonical SMILES for 5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline is FC(F)(F)c1nc2ncnn2c2c1CCCC2.
What is the InChIKey of 5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline?
The InChIKey is BEIGJKUOGJYDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c11-10(12,13)8-6-3-1-2-4-7(6)17-9(16-8)14-5-15-17/h5H,1-4H2.
What are the key properties of 5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline?
5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline has a molecular weight of 242.20 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline is sourced from PubChem (CID 618039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).