N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C21H22N6 — CID 156537421

IUPACN-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccccc1)c1nc2nncn2c2cc(N3CCCCC3)ccc12
InChIInChI=1S/C21H22N6/c1-25(16-8-4-2-5-9-16)20-18-11-10-17(26-12-6-3-7-13-26)14-19(18)27-15-22-24-21(27)23-20/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3
InChIKeyAORWSOLMWWIJRQ-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.04
Rot. Bonds3

About N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156537421) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156537421
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC NameN-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccccc1)c1nc2nncn2c2cc(N3CCCCC3)ccc12
InChIInChI=1S/C21H22N6/c1-25(16-8-4-2-5-9-16)20-18-11-10-17(26-12-6-3-7-13-26)14-19(18)27-15-22-24-21(27)23-20/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3
InChIKeyAORWSOLMWWIJRQ-UHFFFAOYSA-N
XLogP4.04
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156537421) is N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1ccccc1)c1nc2nncn2c2cc(N3CCCCC3)ccc12.
What is the InChIKey of N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is AORWSOLMWWIJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-25(16-8-4-2-5-9-16)20-18-11-10-17(26-12-6-3-7-13-26)14-19(18)27-15-22-24-21(27)23-20/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3.
What are the key properties of N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 358.45 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156537421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).