8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline

C10H5F3N4 — CID 175863091

IUPAC8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESFC(F)(F)c1ccc2c(c1)ncn1ncnc21
InChIInChI=1S/C10H5F3N4/c11-10(12,13)6-1-2-7-8(3-6)15-5-17-9(7)14-4-16-17/h1-5H
InChIKeyCWRVCANUKMGMMQ-UHFFFAOYSA-N
MW238.17 g/mol
LogP2.30
Rot. Bonds

About 8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline

8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 175863091) has the molecular formula C10H5F3N4 and a molecular weight of 238.17 g/mol. Its IUPAC name is 8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID175863091
Molecular FormulaC10H5F3N4
Molecular Weight238.17 g/mol
Exact Mass238.05
IUPAC Name8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESFC(F)(F)c1ccc2c(c1)ncn1ncnc21
InChIInChI=1S/C10H5F3N4/c11-10(12,13)6-1-2-7-8(3-6)15-5-17-9(7)14-4-16-17/h1-5H
InChIKeyCWRVCANUKMGMMQ-UHFFFAOYSA-N
XLogP2.30
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 175863091) is 8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline is FC(F)(F)c1ccc2c(c1)ncn1ncnc21.
What is the InChIKey of 8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is CWRVCANUKMGMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4/c11-10(12,13)6-1-2-7-8(3-6)15-5-17-9(7)14-4-16-17/h1-5H.
What are the key properties of 8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 238.17 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 175863091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).