5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine

C16H10F3N7O — CID 127039893

IUPAC5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine
SMILESNc1nc(-c2ccccn2)nn1-c1ncnc2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C16H10F3N7O/c17-16(18,19)27-9-4-5-10-12(7-9)22-8-23-14(10)26-15(20)24-13(25-26)11-3-1-2-6-21-11/h1-8H,(H2,20,24,25)
InChIKeyRQARRAKSVNUQTE-UHFFFAOYSA-N
MW373.30 g/mol
LogP2.75
Rot. Bonds3

About 5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine

5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine (PubChem CID 127039893) has the molecular formula C16H10F3N7O and a molecular weight of 373.30 g/mol. Its IUPAC name is 5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine
PubChem CID127039893
Molecular FormulaC16H10F3N7O
Molecular Weight373.30 g/mol
Exact Mass373.09
IUPAC Name5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine
SMILESNc1nc(-c2ccccn2)nn1-c1ncnc2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C16H10F3N7O/c17-16(18,19)27-9-4-5-10-12(7-9)22-8-23-14(10)26-15(20)24-13(25-26)11-3-1-2-6-21-11/h1-8H,(H2,20,24,25)
InChIKeyRQARRAKSVNUQTE-UHFFFAOYSA-N
XLogP2.75
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine (CID 127039893) is 5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine is Nc1nc(-c2ccccn2)nn1-c1ncnc2cc(OC(F)(F)F)ccc12.
What is the InChIKey of 5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine?
The InChIKey is RQARRAKSVNUQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N7O/c17-16(18,19)27-9-4-5-10-12(7-9)22-8-23-14(10)26-15(20)24-13(25-26)11-3-1-2-6-21-11/h1-8H,(H2,20,24,25).
What are the key properties of 5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine?
5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine has a molecular weight of 373.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-2-[7-(trifluoromethoxy)quinazolin-4-yl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 127039893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).