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

C21H16N6 — CID 156536695

IUPACN-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccccc1)c1nc2nncn2c2cc(-c3cccnc3)ccc12
InChIInChI=1S/C21H16N6/c1-26(17-7-3-2-4-8-17)20-18-10-9-15(16-6-5-11-22-13-16)12-19(18)27-14-23-25-21(27)24-20/h2-14H,1H3
InChIKeyRHZGUKOIQDUHFX-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.11
Rot. Bonds3

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

N-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156536695) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156536695
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC NameN-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccccc1)c1nc2nncn2c2cc(-c3cccnc3)ccc12
InChIInChI=1S/C21H16N6/c1-26(17-7-3-2-4-8-17)20-18-10-9-15(16-6-5-11-22-13-16)12-19(18)27-14-23-25-21(27)24-20/h2-14H,1H3
InChIKeyRHZGUKOIQDUHFX-UHFFFAOYSA-N
XLogP4.11
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.11
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-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156536695) is N-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1ccccc1)c1nc2nncn2c2cc(-c3cccnc3)ccc12.
What is the InChIKey of N-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is RHZGUKOIQDUHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c1-26(17-7-3-2-4-8-17)20-18-10-9-15(16-6-5-11-22-13-16)12-19(18)27-14-23-25-21(27)24-20/h2-14H,1H3.
What are the key properties of N-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 352.40 g/mol, XLogP of 4.11, 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-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156536695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).