7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C17H13F2N5 — CID 156557224

IUPAC7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCc1nnc2nc(N(C)c3ccccc3)c3cc(F)c(F)cc3n12
InChIInChI=1S/C17H13F2N5/c1-10-21-22-17-20-16(23(2)11-6-4-3-5-7-11)12-8-13(18)14(19)9-15(12)24(10)17/h3-9H,1-2H3
InChIKeyUNXFJIDQWBTVLL-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.63
Rot. Bonds2

About 7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156557224) has the molecular formula C17H13F2N5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound Name7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156557224
Molecular FormulaC17H13F2N5
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCc1nnc2nc(N(C)c3ccccc3)c3cc(F)c(F)cc3n12
InChIInChI=1S/C17H13F2N5/c1-10-21-22-17-20-16(23(2)11-6-4-3-5-7-11)12-8-13(18)14(19)9-15(12)24(10)17/h3-9H,1-2H3
InChIKeyUNXFJIDQWBTVLL-UHFFFAOYSA-N
XLogP3.63
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of 7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156557224) is 7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for 7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for 7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is Cc1nnc2nc(N(C)c3ccccc3)c3cc(F)c(F)cc3n12.
What is the InChIKey of 7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is UNXFJIDQWBTVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5/c1-10-21-22-17-20-16(23(2)11-6-4-3-5-7-11)12-8-13(18)14(19)9-15(12)24(10)17/h3-9H,1-2H3.
What are the key properties of 7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 325.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156557224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).