N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C21H16N6 — CID 156536467

IUPACN-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccccc1)c1nc2nncn2c2ccc(-c3ccncc3)cc12
InChIInChI=1S/C21H16N6/c1-26(17-5-3-2-4-6-17)20-18-13-16(15-9-11-22-12-10-15)7-8-19(18)27-14-23-25-21(27)24-20/h2-14H,1H3
InChIKeySWKNZXAVZOQPPJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.11
Rot. Bonds3

About N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156536467) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156536467
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC NameN-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccccc1)c1nc2nncn2c2ccc(-c3ccncc3)cc12
InChIInChI=1S/C21H16N6/c1-26(17-5-3-2-4-6-17)20-18-13-16(15-9-11-22-12-10-15)7-8-19(18)27-14-23-25-21(27)24-20/h2-14H,1H3
InChIKeySWKNZXAVZOQPPJ-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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Related Compounds

N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536634
N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536787
N-methyl-N-phenyl-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536695
N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537343
N-[3-(4-tert-butylphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537093
2-imino-1-methanimidoyl-N-methyl-N-phenyl-6-pyridin-4-ylquinazolin-4-amine
CID 156557085
8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536911
N-methyl-8-nitro-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536720
N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide
CID 156557271
N-methyl-8-(methylaminomethyl)-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156557611
8-butyl-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 167704368
N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537421

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156536467) is N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1ccccc1)c1nc2nncn2c2ccc(-c3ccncc3)cc12.
What is the InChIKey of N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is SWKNZXAVZOQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c1-26(17-5-3-2-4-6-17)20-18-13-16(15-9-11-22-12-10-15)7-8-19(18)27-14-23-25-21(27)24-20/h2-14H,1H3.
What are the key properties of N-methyl-N-phenyl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-methyl-N-phenyl-7-pyridin-4-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-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156536467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).