N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide

C20H20N6O — CID 2138544

IUPACN-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2c(-c3cccc(C)c3)nnn2c2ccccc12
InChIInChI=1S/C20H20N6O/c1-13-6-5-7-15(12-13)18-20-23-19(22-11-10-21-14(2)27)16-8-3-4-9-17(16)26(20)25-24-18/h3-9,12H,10-11H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyZRWIOSWEAALVHI-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.80
Rot. Bonds5

About N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide

N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide (PubChem CID 2138544) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide
PubChem CID2138544
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2c(-c3cccc(C)c3)nnn2c2ccccc12
InChIInChI=1S/C20H20N6O/c1-13-6-5-7-15(12-13)18-20-23-19(22-11-10-21-14(2)27)16-8-3-4-9-17(16)26(20)25-24-18/h3-9,12H,10-11H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyZRWIOSWEAALVHI-UHFFFAOYSA-N
XLogP2.80
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide (CID 2138544) is N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc2c(-c3cccc(C)c3)nnn2c2ccccc12.
What is the InChIKey of N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide?
The InChIKey is ZRWIOSWEAALVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-6-5-7-15(12-13)18-20-23-19(22-11-10-21-14(2)27)16-8-3-4-9-17(16)26(20)25-24-18/h3-9,12H,10-11H2,1-2H3,(H,21,27)(H,22,23).
What are the key properties of N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide?
N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]amino]ethyl]acetamide is sourced from PubChem (CID 2138544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).