N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C24H28N6 — CID 6623104

IUPACN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCC1CCCC(C)N1CCNc1nc2ccccc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C24H28N6/c1-17-9-8-10-18(2)29(17)16-15-25-24-26-21-14-7-6-13-20(21)23-27-22(28-30(23)24)19-11-4-3-5-12-19/h3-7,11-14,17-18H,8-10,15-16H2,1-2H3,(H,25,26)
InChIKeyQDGKQVCGNWUIFT-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.62
Rot. Bonds5

About N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 6623104) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID6623104
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCC1CCCC(C)N1CCNc1nc2ccccc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C24H28N6/c1-17-9-8-10-18(2)29(17)16-15-25-24-26-21-14-7-6-13-20(21)23-27-22(28-30(23)24)19-11-4-3-5-12-19/h3-7,11-14,17-18H,8-10,15-16H2,1-2H3,(H,25,26)
InChIKeyQDGKQVCGNWUIFT-UHFFFAOYSA-N
XLogP4.62
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 6623104) is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is CC1CCCC(C)N1CCNc1nc2ccccc2c2nc(-c3ccccc3)nn12.
What is the InChIKey of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is QDGKQVCGNWUIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-17-9-8-10-18(2)29(17)16-15-25-24-26-21-14-7-6-13-20(21)23-27-22(28-30(23)24)19-11-4-3-5-12-19/h3-7,11-14,17-18H,8-10,15-16H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 400.53 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 6623104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).