N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C16H11F2N5 — CID 156536530

IUPACN-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1c(F)cccc1F)c1nc2nncn2c2ccccc12
InChIInChI=1S/C16H11F2N5/c1-22(14-11(17)6-4-7-12(14)18)15-10-5-2-3-8-13(10)23-9-19-21-16(23)20-15/h2-9H,1H3
InChIKeySHNPGNVOVZPISY-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.32
Rot. Bonds2

About N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156536530) has the molecular formula C16H11F2N5 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156536530
Molecular FormulaC16H11F2N5
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC NameN-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1c(F)cccc1F)c1nc2nncn2c2ccccc12
InChIInChI=1S/C16H11F2N5/c1-22(14-11(17)6-4-7-12(14)18)15-10-5-2-3-8-13(10)23-9-19-21-16(23)20-15/h2-9H,1H3
InChIKeySHNPGNVOVZPISY-UHFFFAOYSA-N
XLogP3.32
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156536530) is N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1c(F)cccc1F)c1nc2nncn2c2ccccc12.
What is the InChIKey of N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is SHNPGNVOVZPISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5/c1-22(14-11(17)6-4-7-12(14)18)15-10-5-2-3-8-13(10)23-9-19-21-16(23)20-15/h2-9H,1H3.
What are the key properties of N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 311.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156536530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).